Geometry & MOs

Info

ID:	156082
PubChem CID:	56369069
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	383.089282
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	2.7
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCC3=C(N=CC=C3)N4CCCCC4

DOS

IR

Vibrations