Geometry & MOs

Info

ID:	62955
PubChem CID:	26737787
Reduced:	ClO3N4H17C22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	40.35
Dipole, Da:	6.15
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methyl-3-nitroanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2C3=CC=CC=C3N=C2C4=CC=CC=C4Cl

DOS

IR

Vibrations