Geometry & MOs

Info

ID:

90755

PubChem CID:

49971849

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

730.349026

ΔHf, kcal/mol:

-230.77

Dipole, Da:

3.74

IP(EA), eV:

 -8.99(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C)Cl

DOS

IR

Vibrations