Geometry & MOs

Info

ID:	138764
PubChem CID:	52422552
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	45.59
Dipole, Da:	3.23
IP(EA), eV:	-8.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NCCN2C3=C(C=N2)N(N=C3C)C(C)C

DOS

IR

Vibrations