Geometry & MOs

Info

ID:	74064
PubChem CID:	48421413
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	3.45
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations