Geometry & MOs

Info

ID:

185047

PubChem CID:

77246341

Reduced:

NO5C23H23 (2)

Stoich.:

AB5C23D23 (2)

Weight, g/mol:

464.311104

ΔHf, kcal/mol:

-248.61

Dipole, Da:

10.18

IP(EA), eV:

 -8.6(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(1-adamantyl)acetyl]amino]-5-[[amino(nitramido)methylidene]amino]-N-(3-methylbutyl)pentanamide

Drug info:

PubChemData

Smile

CN1CCC23C4C1CC5=CCC(C(=C52)OC3C(C=C4)O)(O)OC(=O)C6=CC7=C(C=C6)C=CC(=C7)C(=O)OC8(CC=C9CC1C2C=CC(C3C2(C9=C8O3)CCN1C)O)O

DOS

IR

Vibrations