Geometry & MOs

Info

ID:

104628

PubChem CID:

50104773

Reduced:

N6O6C33H46 (1)

Stoich.:

A6B6C33D46 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-241.43

Dipole, Da:

3.13

IP(EA), eV:

 -9.0(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations