Geometry & MOs

Info

ID:	234636
PubChem CID:	92303210
Reduced:	N3O5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	5.72
IP(EA), eV:	-10.18(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-2-amino-4-methyl-6-phenyl-6H-1,3-thiazine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations