Geometry & MOs

Info

ID:	393105
PubChem CID:	135019383
Reduced:	NO6H21C45 (1)
Stoich.:	AB6C21D45 (1)
Weight, g/mol:	356.102174
ΔH_f, kcal/mol:	155.01
Dipole, Da:	14.08
IP(EA), eV:	-8.62(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2'-amino-5'-azido-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carbonitrile

Drug info:

PubChemData

Smile

C1C2CC34C(C(N(C3C(=O)O)CC(=O)O)C(=O)O)C5=CC6=CC7=C8C6=C9C5=C3C4=C2C2=C4C3=C9C3=C8C5=C6C3=C4C3=C4C6=C(CC4=CC1=C23)C=C5C7

DOS

IR

Vibrations