Geometry & MOs

Info

ID:	243218
PubChem CID:	99217179
Reduced:	ClN3O4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-130.79
Dipole, Da:	9.05
IP(EA), eV:	-8.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)NCC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations