Geometry & MOs

Info

ID:	64410
PubChem CID:	29200167
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-32.84
Dipole, Da:	7.9
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-4-(4-nitroanilino)butanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CO4

DOS

IR

Vibrations