Geometry & MOs

Info

ID:	131504
PubChem CID:	51215218
Reduced:	ClOSN4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	380.14376
ΔH_f, kcal/mol:	25.34
Dipole, Da:	3.45
IP(EA), eV:	-9.02(-0.91)
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-heptan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations