Geometry & MOs

Info

ID:	220642
PubChem CID:	85198130
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	475.174336
ΔH_f, kcal/mol:	-93.69
Dipole, Da:	3.16
IP(EA), eV:	-9.3(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[2-(phenylmethoxycarbonylamino)propanoylamino]benzoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCC1CC(OCN1CC2=CC=CC=C2)C3C4C=CC(C3CO)O4

DOS

IR

Vibrations