Geometry & MOs

Info

ID:	318632
PubChem CID:	126652488
Reduced:	ClN2O4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	-203.19
Dipole, Da:	2.46
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(2-hydroxyphenyl)methyl]-4-oxoquinoline-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NCC(CC1=CC=C(C=C1)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations