Geometry & MOs

Info

ID:	51593
PubChem CID:	12014290
Reduced:	S2N5H11C17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	414.089895
ΔH_f, kcal/mol:	215.79
Dipole, Da:	6.23
IP(EA), eV:	-8.99(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-imino-9-oxo-6,11-diphenyl-12-oxa-2-thia-4,5,7,8-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),3,5-triene-14-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C3N2NC4=NC5=CC=CC=C5SC(=C4)S3

DOS

IR

Vibrations