Geometry & MOs

Info

ID:

94383

PubChem CID:

50000463

Reduced:

BrO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

611.325374

ΔHf, kcal/mol:

-185.65

Dipole, Da:

9.97

IP(EA), eV:

 -8.56(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-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)NCCC(=O)NC4=C(C=C(C=C4)Br)C

DOS

IR

Vibrations