Geometry & MOs

Info

ID:	204007
PubChem CID:	79899906
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	318.104956
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	2.36
IP(EA), eV:	-9.24(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CCC2(CC1)CC(CCO2)NC(CO)C3=CC=CC=C3

DOS

IR

Vibrations