Geometry & MOs

Info

ID:

106212

PubChem CID:

50152815

Reduced:

SO4N5C31H43 (1)

Stoich.:

AB4C5D31E43 (1)

Weight, g/mol:

603.23791

ΔHf, kcal/mol:

-172.28

Dipole, Da:

3.1

IP(EA), eV:

 -8.36(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-dichloroanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)SC)C

DOS

IR

Vibrations