Geometry & MOs

Info

ID:	235700
PubChem CID:	92710451
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	431.162725
ΔH_f, kcal/mol:	-142.67
Dipole, Da:	2.69
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[2-(1H-imidazol-5-yl)ethyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCC4)C

DOS

IR

Vibrations