Geometry & MOs

Info

ID:

118118

PubChem CID:

50629649

Reduced:

ClN6O6C30H39 (1)

Stoich.:

AB6C6D30E39 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-237.35

Dipole, Da:

5.18

IP(EA), eV:

 -9.0(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations