Geometry & MOs

Info

ID:	237911
PubChem CID:	92722556
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	495.182792
ΔH_f, kcal/mol:	-124.72
Dipole, Da:	4.68
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(benzenesulfonyl)-2-methyl-1-[(5-methylfuran-2-yl)methyl]-N-[(4-methylphenyl)methyl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)CN(C[C@]1(C)C(=O)NCC2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations