Geometry & MOs

Info

ID:	430293
PubChem CID:	135170357
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	520.156912
ΔH_f, kcal/mol:	16.98
Dipole, Da:	1.44
IP(EA), eV:	-8.34(-0.19)
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-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)OC2=CC3=C(C=C2)C4=C(CCC4)C(=N3)N

DOS

IR

Vibrations