Geometry & MOs

Info

ID:	129034
PubChem CID:	51067393
Reduced:	SN4O5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	588.175118
ΔH_f, kcal/mol:	-112.58
Dipole, Da:	5.54
IP(EA), eV:	-8.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=CN(C(=NC(=O)C2=CC(=C(C=C2)OC)OC)S1)CC3=CC=C(O3)C(=O)NCCN(C)C

DOS

IR

Vibrations