Geometry & MOs

Info

ID:	222033
PubChem CID:	85293529
Reduced:	NO8C26H29 (1)
Stoich.:	AB8C26D29 (1)
Weight, g/mol:	483.236936
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	3.08
IP(EA), eV:	-8.91(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-methyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C1C(C2CCC(ON2O1)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OO

DOS

IR

Vibrations