Geometry & MOs

Info

ID:	35672
PubChem CID:	7980180
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	1.9
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C2=NC(=CS2)COC(=O)COC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations