Geometry & MOs

Info

ID:	313628
PubChem CID:	126616751
Reduced:	SO2N3C25H41 (1)
Stoich.:	AB2C3D25E41 (1)
Weight, g/mol:	723.172533
ΔH_f, kcal/mol:	-125.47
Dipole, Da:	1.53
IP(EA), eV:	-8.65(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-[1-(benzenesulfonyl)-5-[bis(4-chlorophenyl)methyl]indazol-3-yl]piperidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(CC2=CC=CC=C2)NC(=O)C(CCSC)N)C(C)C

DOS

IR

Vibrations