Geometry & MOs

Info

ID:	165460
PubChem CID:	74552678
Reduced:	ON4C24H38 (1)
Stoich.:	AB4C24D38 (1)
Weight, g/mol:	364.099397
ΔH_f, kcal/mol:	101.93
Dipole, Da:	22.87
IP(EA), eV:	-4.24(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzimidazol-2-ylidenemethyl)-6-hydroxy-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)CC(C[NH+]2CCN3C4=C(C=C(C=C4)C)C5=C3C2CCC5)O

DOS

IR

Vibrations