Geometry & MOs

Info

ID:	239896
PubChem CID:	93167166
Reduced:	FSN2O3C30H35 (1)
Stoich.:	ABC2D3E30F35 (1)
Weight, g/mol:	496.275964
ΔH_f, kcal/mol:	-124.88
Dipole, Da:	2.75
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopentanecarboxamide

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

CC[C@H](C)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)C4=CC(=CC=C4)F

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

CC[C@H](C)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)C(C)C)C=CS2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):