Geometry & MOs

Info

ID:	33434
PubChem CID:	7886459
Reduced:	FOS2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	390.064275
ΔH_f, kcal/mol:	-40.68
Dipole, Da:	2.76
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylsulfanylethyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)NC(=O)[C@H](C)SC2=NC=NC3=C2C4=C(S3)CCCC4

DOS

IR

Vibrations