Geometry & MOs

Info

ID:

185045

PubChem CID:

77246028

Reduced:

Cl2O3N6C37H40 (1)

Stoich.:

A2B3C6D37E40 (1)

Weight, g/mol:

399.215806

ΔHf, kcal/mol:

-57.99

Dipole, Da:

6.69

IP(EA), eV:

 -8.53(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-hydroxyphenyl)-2-methyl-1-(3-methylbutylamino)-1-oxopropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N2C=NC(=C2C3=C(NC4=C3C=CC(=C4)Cl)C(=O)NCCN5CCN(CC5)C(=O)OC(C)(C)C)C6=CC=CC=C6

DOS

IR

Vibrations