Geometry & MOs

Info

ID:	187568
PubChem CID:	77593357
Reduced:	N2S2O7C29H38 (1)
Stoich.:	A2B2C7D29E38 (1)
Weight, g/mol:	525.239434
ΔH_f, kcal/mol:	-274.08
Dipole, Da:	6.97
IP(EA), eV:	-8.71(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[4-(3-benzyl-2,5-dioxopiperazin-1-yl)-1-(3-chlorophenyl)cyclohexyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2CC3(CCC2NC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4)OCCO3)S(=O)O

DOS

IR

Vibrations