Geometry & MOs

Info

ID:	33207
PubChem CID:	7885394
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	385.127385
ΔH_f, kcal/mol:	-34.81
Dipole, Da:	7.21
IP(EA), eV:	-8.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-nitroanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)C4=C(N(C(=C4)C)CC=C)C

DOS

IR

Vibrations