Geometry & MOs

Info

ID:	131505
PubChem CID:	51215219
Reduced:	ClOSN4C18H25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	380.14376
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	6.35
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methylhexan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations