Geometry & MOs

Info

ID:	217919
PubChem CID:	85088593
Reduced:	O8C21H32 (1)
Stoich.:	A8B21C32 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-356.78
Dipole, Da:	1.94
IP(EA), eV:	-9.72(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-benzyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=CCC(CC=CCOC1CCCCO1)(C(=O)OC)C(=O)OC)COC(=O)C

DOS

IR

Vibrations