Geometry & MOs

Info

ID:	187375
PubChem CID:	77566771
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	198.080456
ΔH_f, kcal/mol:	-135.82
Dipole, Da:	4.63
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-2-(4-fluorophenyl)ethyl]carbamic acid

Drug info:

PubChemData

Smile

C1C=C(C=CS1(=O)=O)C(CC(C(CC2=CC=CC=C2)N)O)C(=O)N

DOS

IR

Vibrations