Geometry & MOs

Info

ID:	137337
PubChem CID:	52192166
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	352.105705
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	1.23
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(difluoromethylsulfanyl)phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C2=CC=CS2

DOS

IR

Vibrations