Geometry & MOs

Info

ID:	428610
PubChem CID:	135167790
Reduced:	O2N4C31H50 (1)
Stoich.:	A2B4C31D50 (1)
Weight, g/mol:	526.295534
ΔH_f, kcal/mol:	-131.34
Dipole, Da:	1.52
IP(EA), eV:	-8.47(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-[1-(fluoromethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxyindole-3-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=C(C=C4)C(C)(C)C)NC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@@H]3[C@H]2CN(CC3)CCC4=CC=C(C=C4)C(C)(C)C)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):