Geometry & MOs

Info

ID:	77265
PubChem CID:	48425992
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	381.102624
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	3.46
IP(EA), eV:	-8.99(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=C(N(N=C1C)C)C

DOS

IR

Vibrations