Geometry & MOs

Info

ID:

105641

PubChem CID:

50135522

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

670.347883

ΔHf, kcal/mol:

-217.19

Dipole, Da:

2.93

IP(EA), eV:

 -8.91(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations