Geometry & MOs

Info

ID:	430286
PubChem CID:	135170350
Reduced:	N2C13H19 (2)
Stoich.:	A2B13C19 (2)
Weight, g/mol:	534.172562
ΔH_f, kcal/mol:	26.37
Dipole, Da:	3.99
IP(EA), eV:	-8.2(-0.18)
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-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(N1)C3=C(C=C(C(=C3)N(C)C)CCCCN4CCCC4)N=C2C5CC5

DOS

IR

Vibrations