Geometry & MOs

Info

ID:	245082
PubChem CID:	99437384
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	3.98
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@H](C1)C(=O)N(CC2=CC=C(C=C2)OC)[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations