Geometry & MOs

Info

ID:	130064
PubChem CID:	51074818
Reduced:	ON3S3C15H15 (1)
Stoich.:	AB3C3D15E15 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	36.96
Dipole, Da:	5.07
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thiophen-3-yl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NC=NC3=C2SC=C3

DOS

IR

Vibrations