Geometry & MOs

Info

ID:	41434
PubChem CID:	8145872
Reduced:	ClSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	83.32
Dipole, Da:	6.26
IP(EA), eV:	-8.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations