Geometry & MOs

Info

ID:	237250
PubChem CID:	92718026
Reduced:	NSO6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	437.107709
ΔH_f, kcal/mol:	-204.48
Dipole, Da:	3.7
IP(EA), eV:	-8.89(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)COC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations