Geometry & MOs

Info

ID:	74801
PubChem CID:	48422499
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	4.46
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC)Cl

DOS

IR

Vibrations