Geometry & MOs

Info

ID:	139320
PubChem CID:	52509194
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	357.04882
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	7.5
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(carbamoylamino)-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C(=O)[C@](NC2=O)(C)C3=CC=C(O3)C

DOS

IR

Vibrations