Geometry & MOs

Info

ID:	186641
PubChem CID:	77460060
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	413.252586
ΔH_f, kcal/mol:	-55.8
Dipole, Da:	2.25
IP(EA), eV:	-8.73(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]pentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3(C4(C1CCC5=C(N(N=C25)C)C6=CC=CC=C6)CCCC4)OCCO3

DOS

IR

Vibrations