Geometry & MOs

Info

ID:	137854
PubChem CID:	52273044
Reduced:	SN3O3C18H28 (1)
Stoich.:	AB3C3D18E28 (1)
Weight, g/mol:	355.116604
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754280
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethoxy)phenyl]-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC=C)C[NH+]2CCCC2

DOS

IR

Vibrations