Geometry & MOs

Info

ID:

316178

PubChem CID:

126630317

Reduced:

N5O6C31H41 (1)

Stoich.:

A5B6C31D41 (1)

Weight, g/mol:

649.347549

ΔHf, kcal/mol:

-201.8

Dipole, Da:

12.06

IP(EA), eV:

 -8.94(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[(2S)-2-[[(2S)-2-[[(E)-4-[2-[(1R)-2-acetyloxycyclopropyl]quinolin-7-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]-3-methyldiazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C2=NC3=C(C=CC(=C3)/C=C/C(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)COC)C(C)C)(C)C)C=C2

DOS

IR

Vibrations