Geometry & MOs

Info

ID:	244355
PubChem CID:	99344236
Reduced:	SN2O5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-189.39
Dipole, Da:	9.82
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2,3-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)NC2=CC(=C(C(=C2)C)C)C(=O)OC

DOS

IR

Vibrations