Geometry & MOs

Info

ID:	195579
PubChem CID:	78704287
Reduced:	OF2S2N3C17H26 (1)
Stoich.:	AB2C2D3E17F26 (1)
Weight, g/mol:	389.140711
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752186
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethylsulfanyl)phenyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCOC(C1)CNC(=S)NC2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations