Geometry & MOs

Info

ID:	70463
PubChem CID:	48413384
Reduced:	SN2O6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	380.140593
ΔH_f, kcal/mol:	-230.95
Dipole, Da:	11.04
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)C

DOS

IR

Vibrations