Geometry & MOs

Info

ID:

105532

PubChem CID:

50111222

Reduced:

BrO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-195.38

Dipole, Da:

10.66

IP(EA), eV:

 -8.91(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations