Geometry & MOs

Info

ID:	189179
PubChem CID:	77825714
Reduced:	ClSN4O4C25H29 (1)
Stoich.:	ABC4D4E25F29 (1)
Weight, g/mol:	529.180205
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	2.19
IP(EA), eV:	-9.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzyl-2,3-dihydrothiophen-2-yl)ethyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

CNC1=NC(CS1)C2=CC=C(C=C2)CNC(=O)C(C(C(=O)N3CCCC3C4=CC(=CC=C4)Cl)O)O

DOS

IR

Vibrations