Geometry & MOs

Info

ID:

443193

PubChem CID:

135258056

Reduced:

SN5O7C33H39 (1)

Stoich.:

AB5C7D33E39 (1)

Weight, g/mol:

450.247835

ΔHf, kcal/mol:

-226.9

Dipole, Da:

3.34

IP(EA), eV:

 -9.26(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-N-methyl-N-[3-[6-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]hexylamino]-3-oxopropyl]-4-oxobut-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](CCC2=CC=C(C=C2)C(C)C3C(=O)N(C(=O)S3)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C4=NOC(=C4)C

DOS

IR

Vibrations