Geometry & MOs

Info

ID:	434464
PubChem CID:	135175005
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	277.025623
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	2.71
IP(EA), eV:	-9.06(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(acetylsulfanylmethyl)-3-(2-nitroso-2-oxoethyl)butanedioic acid

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)F)OC2CC(C2)NC(C)C

DOS

IR

Vibrations