Geometry & MOs

Info

ID:	437022
PubChem CID:	135213832
Reduced:	N4O5C22H26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	18.04
Dipole, Da:	3.71
IP(EA), eV:	-8.6(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-hydroxyphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CN(C)[C@@H](CC1=CC=C(C=C1)O)CNC(=O)NCCN2C(C3=C4C=CC(=C3C2=O)O4)O

DOS

IR

Vibrations