Geometry & MOs

Info

ID:	233890
PubChem CID:	92126172
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	384.089697
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	2.29
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-1-(3-methylbutyl)-1-[(1R)-1-thiophen-2-ylethyl]thiourea

Drug info:

PubChemData

Smile

CC1=NC2=C(CCCC2)C(=N1)N3CCC(CC3)NC(=O)C=CC4=CC=CO4

DOS

IR

Vibrations