Geometry & MOs

Info

ID:

311145

PubChem CID:

126589624

Reduced:

FN10O16C63H83 (1)

Stoich.:

AB10C16D63E83 (1)

Weight, g/mol:

378.194343

ΔHf, kcal/mol:

-669.78

Dipole, Da:

13.21

IP(EA), eV:

 -8.38(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(2R)-2-(7,8-dimethyl-5,6-dihydro-4H-benzo[de]quinolin-2-yl)-6-oxo-2,3-dihydro-1H-pyridin-4-yl]butanoic acid

Drug info:

PubChemData

Smile

CC[C@@]1(C2=C(CN3CC4=C5CC(CC6=C5C(=CC(=C6C)F)N=C4C3=C2)C(CC(=O)N)CNC(=O)CNC(=O)C(CC7=CC=CC=C7)NC(=O)CNC(CNC(CN(CCOCCOCCOCCO)C(=O)CCCCCN8C(=O)C=CC8=O)O)O)COC1=O)O

DOS

IR

Vibrations