Geometry & MOs

Info

ID:

446489

PubChem CID:

135275386

Reduced:

SN3O6C30H33 (1)

Stoich.:

AB3C6D30E33 (1)

Weight, g/mol:

531.236936

ΔHf, kcal/mol:

-174.23

Dipole, Da:

5.91

IP(EA), eV:

 -8.54(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)N2C=CC3=C(C=CN=C32)OC4=CC=C(C=C4)CC(C)(C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations