Geometry & MOs

Info

ID:	188076
PubChem CID:	77666251
Reduced:	ClN3O5C20H32 (1)
Stoich.:	AB3C5D20E32 (1)
Weight, g/mol:	393.226371
ΔH_f, kcal/mol:	-261.43
Dipole, Da:	1.81
IP(EA), eV:	-9.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[2-amino-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

COC(=O)CCCCCNC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)N.Cl

DOS

IR

Vibrations