Geometry & MOs

Info

ID:

148504

PubChem CID:

53788167

Reduced:

N7O16C71H85 (1)

Stoich.:

A7B16C71D85 (1)

Weight, g/mol:

246.100442

ΔHf, kcal/mol:

-370.36

Dipole, Da:

24.23

IP(EA), eV:

 -8.43(-2.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,10bR)-8-amino-5-methyl-3,3a,6,10b-tetrahydrofuro[3,2-d][2]benzazepine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(C(=O)N(C2)C)CC(=O)O)C=C1.CC1=CC2=C(CC(C(=O)N(C2)C)CC(=O)OC)C=C1.CC1=CC2=C(C=C1)C=C(C(=O)N(C2)C)CC(=O)O.CNC1=CC2=C(C=C1)[C@H]3[C@@H](CC(=O)O3)C(=O)N(C2)C.CN1CC2=C(C=CC(=C2)N)[C@H]3[C@H](C1=O)CC(=O)O3.CO

DOS

IR

Vibrations