Geometry & MOs

Info

ID:	244382
PubChem CID:	99350549
Reduced:	FSO2N5H24C25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	477.163474
ΔH_f, kcal/mol:	12.89
Dipole, Da:	5.33
IP(EA), eV:	-7.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-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)C3=NN(C(=N3)C4=CC=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations