Geometry & MOs

Info

ID:	146456
PubChem CID:	53692131
Reduced:	SN4O6C28H32 (1)
Stoich.:	AB4C6D28E32 (1)
Weight, g/mol:	518.241687
ΔH_f, kcal/mol:	-204.93
Dipole, Da:	1.91
IP(EA), eV:	-9.63(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[benzyl(ethoxycarbonyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

DOS

IR

Vibrations