Geometry & MOs

Info

ID:	430931
PubChem CID:	135171001
Reduced:	ClSO3N5H20C21 (1)
Stoich.:	ABC3D5E20F21 (1)
Weight, g/mol:	511.294725
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	4.04
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[4-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy]phenyl]methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations