Geometry & MOs

Info

ID:	425053
PubChem CID:	135124989
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	468.146741
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	1.57
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,4R)-1-acetyl-2-methyl-6-[1-(4-methylphenyl)sulfonylpyrazol-3-yl]-3,4-dihydro-2H-quinolin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=NN(C=C3)C)NC4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations