Geometry & MOs

Info

ID:	195351
PubChem CID:	78676992
Reduced:	BrO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-26.73
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756939
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CC=C1)[NH+](C)CC(=O)NC2=CC=CC=C2Br

DOS

IR

Vibrations