Geometry & MOs

Info

ID:	195348
PubChem CID:	78676147
Reduced:	N2O3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	397.07601
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.207281
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[NH+](C)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations