Geometry & MOs

Info

ID:	186025
PubChem CID:	77381321
Reduced:	ClNO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	468.233247
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	3.36
IP(EA), eV:	-9.8(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[1-(1-carbamimidoylpiperidine-3-carbonyl)azetidine-2-carbonyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC1CC2CCC1C2)N.Cl

DOS

IR

Vibrations