Geometry & MOs

Info

ID:

188054

PubChem CID:

77661680

Reduced:

NO4H33C36 (1)

Stoich.:

AB4C33D36 (1)

Weight, g/mol:

585.224178

ΔHf, kcal/mol:

-49.39

Dipole, Da:

0.91

IP(EA), eV:

 -8.6(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[(4-chloro-2-prop-2-enoxybenzoyl)amino]propanoylamino]-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC=CC=C12)N(C(CC(=O)OC)C(=O)OC)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations