Geometry & MOs

Info

ID:	186243
PubChem CID:	77410436
Reduced:	ClFN3O3H25C27 (1)
Stoich.:	ABC3D3E25F27 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	7.41
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-tert-butyl-3-(2-cyanopropan-2-yl)-2-methoxyphenyl]-3-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)urea

Drug info:

PubChemData

Smile

CC1(CN(CC1N(C)C(=O)OC2=CC=C(C=C2)F)C(=O)C3=CCC(C=C3)C#N)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations