Geometry & MOs

Info

ID:	360452
PubChem CID:	127301097
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-201.19
Dipole, Da:	7.7
IP(EA), eV:	-8.97(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NCCS(=O)(=O)NCC3CCC3)O)C

DOS

IR

Vibrations