Geometry & MOs

Info

ID:	235442
PubChem CID:	92708936
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	332.079491
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	2.65
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3,4-difluorophenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C[C@H](C2=CC=CS2)N3C=CC=C3

DOS

IR

Vibrations