Geometry & MOs

Info

ID:	169393
PubChem CID:	75098816
Reduced:	ClOSN5C32H42 (1)
Stoich.:	ABCD5E32F42 (1)
Weight, g/mol:	385.215413
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	2.09
IP(EA), eV:	-8.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-diazinan-2-ylidene)-2-[(1,2-diphenylethylamino)methyl]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2CC(N(C2)CC3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)C5C6CC7CC(C6)CC5C7)C

DOS

IR

Vibrations