Geometry & MOs

Info

ID:

315959

PubChem CID:

126629490

Reduced:

N4O6C31H42 (1)

Stoich.:

A4B6C31D42 (1)

Weight, g/mol:

567.34207

ΔHf, kcal/mol:

-230.05

Dipole, Da:

8.8

IP(EA), eV:

 -8.75(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[(2S)-2-[[(E)-4-(2-ethyl-3-methylquinolin-7-yl)-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]-1-hydroxypropyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC2=CC=C(C=C2)C3=CC(=CC=C3)C(C)C

DOS

IR

Vibrations