Geometry & MOs

Info

ID:	244387
PubChem CID:	99350558
Reduced:	O2S2N3C24H27 (1)
Stoich.:	A2B2C3D24E27 (1)
Weight, g/mol:	429.129317
ΔH_f, kcal/mol:	-5.71
Dipole, Da:	5.26
IP(EA), eV:	-8.07(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC[C@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations