Geometry & MOs

Info

ID:	62961
PubChem CID:	26737805
Reduced:	NOC4H4 (6)
Stoich.:	ABC4D4 (6)
Weight, g/mol:	334.078742
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	7.66
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanyl-N-(2-methyl-3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations