Geometry & MOs

Info

ID:

94050

PubChem CID:

49998364

Reduced:

BrO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

738.31043

ΔHf, kcal/mol:

-237.74

Dipole, Da:

12.57

IP(EA), eV:

 -8.82(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)NC(C)C

DOS

IR

Vibrations