Geometry & MOs

Info

ID:

93749

PubChem CID:

49996482

Reduced:

FO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

704.406147

ΔHf, kcal/mol:

-272.86

Dipole, Da:

4.67

IP(EA), eV:

 -8.88(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations