Geometry & MOs

Info

ID:	85688
PubChem CID:	49878213
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-13.65
Dipole, Da:	6.27
IP(EA), eV:	-8.11(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(butylcarbamoylimino)-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NCCN=CC2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations