Geometry & MOs

Info

ID:	133052
PubChem CID:	51468188
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	445.070845
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	5.47
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,6aS)-5-(3-chloro-4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations