Geometry & MOs

Info

ID:

443454

PubChem CID:

135259078

Reduced:

SO3N7C24H27 (1)

Stoich.:

AB3C7D24E27 (1)

Weight, g/mol:

436.222289

ΔHf, kcal/mol:

-33.75

Dipole, Da:

7.48

IP(EA), eV:

 -8.84(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3E,7Z)-2-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-5,6-dihydro-1,3-diazocin-4-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N6CC[C@H](C6)N(C)C)CCC3

DOS

IR

Vibrations