Geometry & MOs

Info

ID:	31842
PubChem CID:	3720853
Reduced:	BrClN4O5H8C12 (1)
Stoich.:	ABC4D5E8F12 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	3.54
IP(EA), eV:	-9.25(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,5-dimethylphenyl)carbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)OCC(=O)N=NC2=C(NC(=O)NC2=O)O

DOS

IR

Vibrations