Geometry & MOs

Info

ID:	75420
PubChem CID:	48423453
Reduced:	NO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	3.82
IP(EA), eV:	-9.11(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-5-[[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CC2(CC1CC(C2)(C)C)C)OCC3CC3

DOS

IR

Vibrations