Geometry & MOs

Info

ID:	393310
PubChem CID:	135020066
Reduced:	PSN3O5C30H38 (1)
Stoich.:	ABC3D5E30F38 (1)
Weight, g/mol:	656.093777
ΔH_f, kcal/mol:	-248.02
Dipole, Da:	5.27
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]cyclohexyl]thiourea

Drug info:

PubChemData

Smile

CC(C)OP(=O)(OC(C)C)OC(C1=CC=CC=C1)NC(=S)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations