Geometry & MOs

Info

ID:	145614
PubChem CID:	53557242
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	336.095535
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	9.83
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethylsulfonyl)phenyl]-3-(4-methoxybutan-2-yl)urea

Drug info:

PubChemData

Smile

C/C(=C/C(=O)NC1=CN=C(C=C1)OC2=CC=CC(=C2)C(=O)N)/C3CC3

DOS

IR

Vibrations