Geometry & MOs

Info

ID:	237259
PubChem CID:	92718045
Reduced:	SO2N6C21H28 (1)
Stoich.:	AB2C6D21E28 (1)
Weight, g/mol:	437.107709
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	6.64
IP(EA), eV:	-9.17(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)S[C@@H](C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

DOS

IR

Vibrations