Geometry & MOs

Info

ID:	334503
PubChem CID:	127253178
Reduced:	SN2O6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	435.133139
ΔH_f, kcal/mol:	-175.63
Dipole, Da:	4.12
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-(2-hydroxyethyl)tetrazol-5-yl]phenyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC=CS2)N(C)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations