Geometry & MOs

Info

ID:	395646
PubChem CID:	135026084
Reduced:	BrN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	381.178752
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	2.38
IP(EA), eV:	-9.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1-methoxy-1-(phenylmethoxycarbonylamino)propan-2-yl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C(NC(=O)OCC1=CC=CC=C1)N2C(=O)CCC2=O)Br

DOS

IR

Vibrations