Geometry & MOs

Info

ID:	56107
PubChem CID:	17404460
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	312.183778
ΔH_f, kcal/mol:	26.17
Dipole, Da:	4.25
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[2-(4-propan-2-ylphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CN=CC=C3

DOS

IR

Vibrations