Geometry & MOs

Info

ID:	192146
PubChem CID:	78233513
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	373.216555
ΔH_f, kcal/mol:	59.09
Dipole, Da:	6.92
IP(EA), eV:	-8.15(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(2-fluorophenyl)-1-[(6-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=CC(C(=O)N=C2C=C1)CN(C3CC3)C(=O)NC4=CC=C(C=C4)SC

DOS

IR

Vibrations