Geometry & MOs

Info

ID:	297535
PubChem CID:	117620195
Reduced:	FNSO3H26C28 (1)
Stoich.:	ABCD3E26F28 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	4.0
IP(EA), eV:	-8.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxyanilino)-2-pyridin-3-yl-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(=O)C2=C(SC(=C2)C)C3=CC=CC=C3F)NC4=CC(=CC(=C4)CO)OC

DOS

IR

Vibrations