Geometry & MOs

Info

ID:

106114

PubChem CID:

50149785

Reduced:

SO3N4C29H38 (1)

Stoich.:

AB3C4D29E38 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-110.53

Dipole, Da:

5.24

IP(EA), eV:

 -8.45(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorobenzoyl)amino]-3-methoxyphenyl]-1-[1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC)C

DOS

IR

Vibrations