Geometry & MOs

Info

ID:	55582
PubChem CID:	17395594
Reduced:	ClSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	427.150053
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	4.04
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)CSC3=NN=C4N3CCCCC4

DOS

IR

Vibrations