Geometry & MOs

Info

ID:

127674

PubChem CID:

51010750

Reduced:

NO2S4H35C36 (1)

Stoich.:

AB2C4D35E36 (1)

Weight, g/mol:

504.175264

ΔHf, kcal/mol:

-3.24

Dipole, Da:

1.76

IP(EA), eV:

 -8.6(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-7-[(1S,2R,3S,5R)-6,6-dimethyl-3-[(5-pyrrol-1-ylsulfonylthiophene-2-carbonyl)amino]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)SC1=C2C(=C(S1)C3=CC=CC=C3)[C@]4([C@H]5[C@@H]([C@]2(S4)C6=CC=CC=C6)C(=O)N(C5=O)C7=CC=CC=C7)SC(C)(C)C

DOS

IR

Vibrations