Geometry & MOs

Info

ID:	245298
PubChem CID:	99443265
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	377.146093
ΔH_f, kcal/mol:	-17.91
Dipole, Da:	7.47
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methylsulfonyl]-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations