Geometry & MOs

Info

ID:	171972
PubChem CID:	75448642
Reduced:	SN2O6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-179.55
Dipole, Da:	7.5
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-quinolin-8-ylethyl)urea

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C(=O)OC)S(=O)(=O)NCC2=C(ON=C2C)C

DOS

IR

Vibrations