Geometry & MOs

Info

ID:	189950
PubChem CID:	77931292
Reduced:	ClN3O4C28H32 (1)
Stoich.:	AB3C4D28E32 (1)
Weight, g/mol:	519.192484
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	5.21
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]cyclohexa-2,4-dien-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)OC(=O)NC2=C(C=NN2C)C3=CC=C(C=C3)C4CCC(CC4)CC(=O)OC

DOS

IR

Vibrations