Geometry & MOs

Info

ID:

96483

PubChem CID:

50021656

Reduced:

FN6O7C38H45 (1)

Stoich.:

AB6C7D38E45 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-287.18

Dipole, Da:

4.69

IP(EA), eV:

 -8.9(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations