Geometry & MOs

Info

ID:	192121
PubChem CID:	78231974
Reduced:	SO3N4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	418.236876
ΔH_f, kcal/mol:	-64.7
Dipole, Da:	2.27
IP(EA), eV:	-8.29(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(6-methyl-2-oxo-3H-quinolin-3-yl)methyl]-3-phenylurea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)N(CC2NC3C(C4=C(S3)CCCC4)C(=O)N2)CC5=CC=CC=C5

DOS

IR

Vibrations