Geometry & MOs

Info

ID:	273728
PubChem CID:	103799433
Reduced:	SN2O5C11H22 (1)
Stoich.:	AB2C5D11E22 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-231.98
Dipole, Da:	4.56
IP(EA), eV:	-9.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1CCCN1S(=O)(=O)C

DOS

IR

Vibrations