Geometry & MOs

Info

ID:	389033
PubChem CID:	134990939
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	349.006043
ΔH_f, kcal/mol:	-78.49
Dipole, Da:	4.53
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-amino-4,4-dimethyl-1-oxa-3-thia-2-mercuracyclohexan-6-one

Drug info:

PubChemData

Smile

CC1=[N+](C(=CC=C1)COC(=O)C)[O-]

DOS

IR

Vibrations