Geometry & MOs

Info

ID:	155920
PubChem CID:	56368297
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	4.29
IP(EA), eV:	-8.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1OC)CNC(=O)N(C)CC2=CC=CC=C2C3=CC=CC=C3)OC

DOS

IR

Vibrations