Geometry & MOs

Info

ID:	186197
PubChem CID:	77402155
Reduced:	O5N6C19H36 (1)
Stoich.:	A5B6C19D36 (1)
Weight, g/mol:	656.153005
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	6.76
IP(EA), eV:	-9.05(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxopiperidin-3-yl)-1-[(4-propan-2-ylphenyl)methyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2C(CC1NCCN)N(C3C(N2)C(=O)NC(=C)N3)CC(C(C(CO)O)O)O

DOS

IR

Vibrations