Geometry & MOs

Info

ID:

105183

PubChem CID:

50106572

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

596.251396

ΔHf, kcal/mol:

-212.08

Dipole, Da:

8.89

IP(EA), eV:

 -9.2(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations