Geometry & MOs

Info

ID:	172714
PubChem CID:	75542814
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-126.06
Dipole, Da:	7.52
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-1-(2-methylpropyl)-1-[(2-oxo-4aH-quinolin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2NC3C(C(CC(=O)N3)C4=CC=C(C=C4)OCC(=O)N)C(=O)N2

DOS

IR

Vibrations