Geometry & MOs

Info

ID:	64256
PubChem CID:	29198722
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	450.245333
ΔH_f, kcal/mol:	-84.05
Dipole, Da:	7.26
IP(EA), eV:	-9.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@@H]1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations