Geometry & MOs

Info

ID:

115015

PubChem CID:

50505973

Reduced:

ClO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-165.19

Dipole, Da:

5.4

IP(EA), eV:

 -9.01(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations