Geometry & MOs

Info

ID:	77268
PubChem CID:	48425997
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-65.69
Dipole, Da:	9.73
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=CC(=C1C)/C=C(/C#N)\C(=O)NCC(=O)N(CC)CC)C

DOS

IR

Vibrations