Geometry & MOs

Info

ID:	77152
PubChem CID:	48425861
Reduced:	FO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	395.118274
ΔH_f, kcal/mol:	-113.52
Dipole, Da:	6.46
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2F)C

DOS

IR

Vibrations