Geometry & MOs

Info

ID:	438285
PubChem CID:	135228016
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	46.39
Dipole, Da:	3.08
IP(EA), eV:	-8.09(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C/C(=N/N)/C(=NC)C1=CC(=C(C=C1)N)NC(C2CCOCC2)C3=CC=CC=N3

DOS

IR

Vibrations