Geometry & MOs

Info

ID:

104436

PubChem CID:

50104278

Reduced:

N5O6C30H41 (1)

Stoich.:

A5B6C30D41 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-236.66

Dipole, Da:

5.78

IP(EA), eV:

 -8.25(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(dimethylcarbamoyl)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)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations