Geometry & MOs

Info

ID:

110776

PubChem CID:

50339594

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-236.19

Dipole, Da:

8.68

IP(EA), eV:

 -9.06(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C(=O)NCC(C)C

DOS

IR

Vibrations