Geometry & MOs

Info

ID:	307140
PubChem CID:	125270167
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	389.119798
ΔH_f, kcal/mol:	-14.66
Dipole, Da:	6.79
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(2H-indol-3-ylmethylidene)-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCC(=O)NC3=CC4=C(CC=N4)C=C3

DOS

IR

Vibrations