Geometry & MOs

Info

ID:	302441
PubChem CID:	124361754
Reduced:	ClSO2N5C22H24 (1)
Stoich.:	ABC2D5E22F24 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	5.54
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3S)-1-[(2Z)-2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NCC1=CC=CC=C1Cl)NC(=O)N2CCN3C2=NC4=CC=CC=C43

DOS

IR

Vibrations