Geometry & MOs

Info

ID:	219788
PubChem CID:	85164897
Reduced:	SC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	598.263879
ΔH_f, kcal/mol:	56.3
Dipole, Da:	0.1
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[2-[2-(benzhydrylamino)-2-oxoethoxy]-2-oxoethyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C[S+]2CC[S+]1C(C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations