Geometry & MOs

Info

ID:

302266

PubChem CID:

124360955

Reduced:

SN3O4C27H33 (1)

Stoich.:

AB3C4D27E33 (1)

Weight, g/mol:

518.205301

ΔHf, kcal/mol:

-147.12

Dipole, Da:

2.04

IP(EA), eV:

 -8.6(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-phenyl-2-[[(2R)-2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCC1=CC=C(C=C1)OC)NC(=O)[C@@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations