Geometry & MOs

Info

ID:	241031
PubChem CID:	93621263
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	349.073242
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	5.26
IP(EA), eV:	-8.7(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-hydroxypyridin-2-yl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@H]2CN(C3=CC=CC=C3O2)S(=O)(=O)C

DOS

IR

Vibrations