Geometry & MOs

Info

ID:	150100
PubChem CID:	53789786
Reduced:	OC13H25 (2)
Stoich.:	AB13C25 (2)
Weight, g/mol:	548.284614
ΔH_f, kcal/mol:	-163.96
Dipole, Da:	4.12
IP(EA), eV:	-9.82(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[1-[methoxycarbonyl(methyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC(CCCCCCCC)CCCCCC(=O)O

DOS

IR

Vibrations