Geometry & MOs

Info

ID:

134199

PubChem CID:

51661893

Reduced:

SO3N6C25H40 (1)

Stoich.:

AB3C6D25E40 (1)

Weight, g/mol:

504.28826

ΔHf, kcal/mol:

-140.0

Dipole, Da:

7.24

IP(EA), eV:

 -8.76(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-[1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-5-oxo-5a,6,7,8,9,9a-hexahydro-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CCN1C(=O)C2CCCCC2N3C1=NN=C3SCC(=O)NC4CCC(CC4)C

DOS

IR

Vibrations