Geometry & MOs

Info

ID:	133542
PubChem CID:	51545510
Reduced:	OS2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	40.76
Dipole, Da:	2.36
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-yl)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC3=CC(=O)N4C(=CSC4=N3)C

DOS

IR

Vibrations