Geometry & MOs

Info

ID:	76207
PubChem CID:	48424594
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	408.04848
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	3.56
IP(EA), eV:	-9.18(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(2-bromo-4-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(C)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations