Geometry & MOs

Info

ID:	40416
PubChem CID:	8144084
Reduced:	O2N4C20H31 (1)
Stoich.:	A2B4C20D31 (1)
Weight, g/mol:	393.064697
ΔH_f, kcal/mol:	-60.6
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756821
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)CC[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

DOS

IR

Vibrations