Geometry & MOs

Info

ID:

320024

PubChem CID:

126657934

Reduced:

NOSC14H23 (1)

Stoich.:

ABCD14E23 (1)

Weight, g/mol:

632.339627

ΔHf, kcal/mol:

-44.28

Dipole, Da:

3.33

IP(EA), eV:

 -8.35(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4R)-2-N-hex-5-enyl-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-N-methyl-1-N-[(3S)-pent-1-en-3-yl]cyclopentane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)[S@@](=O)N[C@@H](C)C1=CC=CC(=C1)C

DOS

IR

Vibrations