Geometry & MOs

Info

ID:	244381
PubChem CID:	99350545
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	477.163474
ΔH_f, kcal/mol:	-156.87
Dipole, Da:	2.11
IP(EA), eV:	-7.84(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations