Geometry & MOs

Info

ID:	338394
PubChem CID:	127259086
Reduced:	NSO2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	336.87722
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	3.03
IP(EA), eV:	-8.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dibromophenyl)carbamoyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1=C(NC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations