Geometry & MOs

Info

ID:	430182
PubChem CID:	135170245
Reduced:	NC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	520.156912
ΔH_f, kcal/mol:	10.52
Dipole, Da:	1.05
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-11-(3-hydroxyphenyl)-12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C3CCCC3=C(N=C2C=C1CN4CCCC4)C

DOS

IR

Vibrations