Geometry & MOs

Info

ID:	236965
PubChem CID:	92716462
Reduced:	FSO2N3H26C28 (1)
Stoich.:	ABC2D3E26F28 (1)
Weight, g/mol:	445.147156
ΔH_f, kcal/mol:	-34.58
Dipole, Da:	9.14
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)N2CC3=C(N4C=CC=C4[C@H]2C5=CC=C(C=C5)F)SC6=C3CCCC6

DOS

IR

Vibrations