Geometry & MOs

Info

ID:

106045

PubChem CID:

50147696

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-186.67

Dipole, Da:

3.49

IP(EA), eV:

 -8.65(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations