Geometry & MOs

Info

ID:	155615
PubChem CID:	56366318
Reduced:	IO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	396.0285
ΔH_f, kcal/mol:	-17.45
Dipole, Da:	2.16
IP(EA), eV:	-9.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3-(3,4-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCC(=O)NCC2=CC=NC=C2)I

DOS

IR

Vibrations