Geometry & MOs

Info

ID:	430118
PubChem CID:	135170179
Reduced:	N3C25H37 (1)
Stoich.:	A3B25C37 (1)
Weight, g/mol:	534.172562
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	2.55
IP(EA), eV:	-8.09(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CCCCN3CCCC3)N=C(C4=C2CCCC4)NC(C)C

DOS

IR

Vibrations