Geometry & MOs

Info

ID:	63701
PubChem CID:	26759003
Reduced:	ClNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	407.03684
ΔH_f, kcal/mol:	-167.2
Dipole, Da:	6.64
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations