Geometry & MOs

Info

ID:	324441
PubChem CID:	126677678
Reduced:	S2N3O6C25H43 (1)
Stoich.:	A2B3C6D25E43 (1)
Weight, g/mol:	584.192544
ΔH_f, kcal/mol:	-315.69
Dipole, Da:	5.78
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-butanoyloxy-3-[2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoyl]oxypropyl] butanoate

Drug info:

PubChemData

Smile

CCCC[C@@H]1C(=O)N[C@@H](C(=O)N[C@@H]([C@H](CC(=O)O[C@@H](CC(=O)N1)C)O)C(C)CC)CSSCCC=C

DOS

IR

Vibrations