Geometry & MOs

Info

ID:

104472

PubChem CID:

50104352

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-207.73

Dipole, Da:

4.56

IP(EA), eV:

 -8.88(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC(C)C)C

DOS

IR

Vibrations