Geometry & MOs

Info

ID:	258495
PubChem CID:	103154488
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	290.090055
ΔH_f, kcal/mol:	-159.33
Dipole, Da:	1.97
IP(EA), eV:	-8.21(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)CC(CN)OC)OC

DOS

IR

Vibrations