Geometry & MOs

Info

ID:	142750
PubChem CID:	53084996
Reduced:	SO5N6C21H24 (1)
Stoich.:	AB5C6D21E24 (1)
Weight, g/mol:	387.098584
ΔH_f, kcal/mol:	-103.18
Dipole, Da:	4.63
IP(EA), eV:	-9.29(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[2-(dimethylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)NCCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)N=N2

DOS

IR

Vibrations