Geometry & MOs

Info

ID:	163304
PubChem CID:	57719011
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	452.194737
ΔH_f, kcal/mol:	-174.19
Dipole, Da:	2.35
IP(EA), eV:	-9.07(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-ethoxy-3-(quinolin-2-ylmethoxycarbonylamino)phenyl]-2-propan-2-yloxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCC[C@H]2CNC(=O)N2C)OC(C)(C)C(=O)OC

DOS

IR

Vibrations