Geometry & MOs

Info

ID:	195578
PubChem CID:	78704286
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	390.148536
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	4.86
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CC(=CC=C2)N(C)C

DOS

IR

Vibrations