Geometry & MOs

Info

ID:	168801
PubChem CID:	75020677
Reduced:	PO6C12H17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	640.251991
ΔH_f, kcal/mol:	-272.76
Dipole, Da:	2.91
IP(EA), eV:	-8.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-4-(ethylamino)-3,4-dioxobutan-2-yl]-2-[5-[5-(dithiolan-3-yl)pentanoylamino]pentanoylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCOP(=O)(C=CC1=CC(=C(C(=C1)OC)O)OC)O

DOS

IR

Vibrations