Geometry & MOs

Info

ID:	162447
PubChem CID:	57394685
Reduced:	SN4O4C23H32 (1)
Stoich.:	AB4C4D23E32 (1)
Weight, g/mol:	508.191104
ΔH_f, kcal/mol:	-133.63
Dipole, Da:	7.71
IP(EA), eV:	-8.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-[2-oxo-2-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]ethyl]-1,3-dihydropyrazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]3CCN(CC3(C)C)C4CC4

DOS

IR

Vibrations