Geometry & MOs

Info

ID:	139100
PubChem CID:	52472253
Reduced:	O2S2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	3.78
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-3-(4-propan-2-yloxyphenyl)urea

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CCNC(=O)C3=CC=CS3

DOS

IR

Vibrations