Geometry & MOs

Info

ID:	38012
PubChem CID:	8026366
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	51.59
Dipole, Da:	6.34
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations