Geometry & MOs

Info

ID:	140709
PubChem CID:	52743675
Reduced:	NOSC12H12 (2)
Stoich.:	ABCD12E12 (2)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	4.43
IP(EA), eV:	-8.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)ethyl]-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CSC=C2)C(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations