Geometry & MOs

Info

ID:

93809

PubChem CID:

49996838

Reduced:

BrO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-192.3

Dipole, Da:

5.66

IP(EA), eV:

 -8.82(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations