Geometry & MOs

Info

ID:	430200
PubChem CID:	135170263
Reduced:	N3C23H33 (1)
Stoich.:	A3B23C33 (1)
Weight, g/mol:	461.128838
ΔH_f, kcal/mol:	-0.35
Dipole, Da:	1.42
IP(EA), eV:	-8.2(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methyl-N-[1-[(1R,5R,6R)-8-(2H-triazole-4-carbonyl)-8-azatricyclo[4.3.0.02,5]nonan-2-yl]prop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1CN3CCCC3)N=C(C4=C2CC(C4)(C)C)NCC

DOS

IR

Vibrations