Geometry & MOs

Info

ID:	404840
PubChem CID:	135071391
Reduced:	NSO5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	339.04701
ΔH_f, kcal/mol:	-169.57
Dipole, Da:	6.11
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-2-[methyl(phenyl)carbamoyl]pent-4-enoate

Drug info:

PubChemData

Smile

CC(=CCCC(CCC1=CC=CC=C1)N(OC(=O)OC)S(=O)(=O)C)C

DOS

IR

Vibrations