Geometry & MOs

Info

ID:	142819
PubChem CID:	53096207
Reduced:	ClNO2S3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	466.119858
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-(benzenesulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2CCCCCN2S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations