Geometry & MOs

Info

ID:	79363
PubChem CID:	49748256
Reduced:	BrN2S2O3C17H19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	7.09
IP(EA), eV:	-8.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations