Geometry & MOs

Info

ID:	74791
PubChem CID:	48422477
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-101.7
Dipole, Da:	5.63
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OCC2CC2

DOS

IR

Vibrations