Geometry & MOs

Info

ID:	171474
PubChem CID:	75381886
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	406.06922
ΔH_f, kcal/mol:	-76.75
Dipole, Da:	5.49
IP(EA), eV:	-8.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)N(C)C1=CC=CC(=C1)NC(=O)N2CCS(=O)C(C2)(C)C

DOS

IR

Vibrations