Geometry & MOs

Info

ID:	228789
PubChem CID:	87565786
Reduced:	N3O3C28H45 (1)
Stoich.:	A3B3C28D45 (1)
Weight, g/mol:	471.346092
ΔH_f, kcal/mol:	-170.36
Dipole, Da:	2.79
IP(EA), eV:	-8.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-hydroxy-N-[(3S)-1-[(1S,2S,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]benzamide

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

CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC(=O)C3=CC(=C(C=C3)O)C(C)(C)C)N(C)C(C)C

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

CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC(=O)C3=CC(=C(C=C3)O)C(C)(C)C)N(C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):