Geometry & MOs

Info

ID:

310196

PubChem CID:

126576446

Reduced:

ClNH16C17 (1)

Stoich.:

ABC16D17 (1)

Weight, g/mol:

683.297167

ΔHf, kcal/mol:

36.42

Dipole, Da:

5.52

IP(EA), eV:

 -8.42(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl N-[6-[[6-[(2S,4R)-4-hydroxy-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]pyrrolidin-1-yl]-6-oxohexyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)N2C=CC3=C2C=CC(=C3)Cl)C

DOS

IR

Vibrations