Geometry & MOs

Info

ID:	182003
PubChem CID:	76826152
Reduced:	SO2N3C13H19 (2)
Stoich.:	AB2C3D13E19 (2)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-120.71
Dipole, Da:	5.13
IP(EA), eV:	-8.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,6-dimethyl-3a,4,5,7-tetrahydro-2H-indazol-3-ylidene)indol-6-yl]-2-imidazol-1-yl-N-methylacetamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCSC)C(=O)NCC1=CC=C(C=C1)C(=NN)N)NS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations