Geometry & MOs

Info

ID:

47383

PubChem CID:

10532104

Reduced:

SN2O9C33H34 (1)

Stoich.:

AB2C9D33E34 (1)

Weight, g/mol:

636.294785

ΔHf, kcal/mol:

-317.03

Dipole, Da:

3.48

IP(EA), eV:

 -9.12(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (17S,18S)-7,12-bis(ethenyl)-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)S[C@@H](CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)N3C(CCC3C(=O)OC)C4=CC=C(C=C4)O

DOS

IR

Vibrations