Geometry & MOs

Info

ID:	177287
PubChem CID:	76160780
Reduced:	SN2F3O7C23H25 (1)
Stoich.:	AB2C3D7E23F25 (1)
Weight, g/mol:	465.219448
ΔH_f, kcal/mol:	-406.54
Dipole, Da:	5.77
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chlorophenyl)methyl-(1-hydroxypropan-2-yl)amino]-2-methoxy-3-methylbutyl]-3-(4-fluorophenyl)-1-methylurea

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC4C3CC(OC4CO)CC(=O)NCC(F)(F)F

DOS

IR

Vibrations