Geometry & MOs

Info

ID:	162446
PubChem CID:	57394682
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	460.214427
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	4.13
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)NC3CCCCC3

DOS

IR

Vibrations