Geometry & MOs

Info

ID:	192145
PubChem CID:	78233512
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	5.64
IP(EA), eV:	-8.85(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-1-[(6-methyl-2-oxo-3H-quinolin-3-yl)methyl]-3-(4-methylsulfanylphenyl)urea

Drug info:

PubChemData

Smile

CC1CCC2C(C1)CC(C(=O)N2)CN(C3CC3)C(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations