Geometry & MOs

Info

ID:

180775

PubChem CID:

76683619

Reduced:

N11O11C43H67 (1)

Stoich.:

A11B11C43D67 (1)

Weight, g/mol:

455.253255

ΔHf, kcal/mol:

-454.52

Dipole, Da:

9.14

IP(EA), eV:

 -8.61(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-methylcyclopropyl) 2-[3-[5-[cyanomethyl(methyl)carbamoyl]pyrazin-2-yl]oxypropyl]-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCC(=O)N[C@H](C(=C)N1)CC2=CC=C(C=C2)O)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)C

DOS

IR

Vibrations