Geometry & MOs

Info

ID:

176483

PubChem CID:

76058190

Reduced:

NO5C24H25 (1)

Stoich.:

AB5C24D25 (1)

Weight, g/mol:

774.323326

ΔHf, kcal/mol:

-159.95

Dipole, Da:

3.32

IP(EA), eV:

 -9.12(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[10-[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoyl]-18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-21,22,23,24-tetrahydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=C2CCC3=C2OC4CC(CCC4C3=O)NC(=O)C=CC(=O)O

DOS

IR

Vibrations