Geometry & MOs

Info

ID:

214833

PubChem CID:

85083720

Reduced:

O7N9C28H45 (1)

Stoich.:

A7B9C28D45 (1)

Weight, g/mol:

619.358549

ΔHf, kcal/mol:

-310.76

Dipole, Da:

9.14

IP(EA), eV:

 -8.78(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-[3-amino-1-(3,5-difluorophenyl)-4-[1-(3-propan-2-ylphenyl)cyclopropyl]oxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN)C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)N4CCCC4C(=O)O

DOS

IR

Vibrations