Geometry & MOs

Info

ID:

415352

PubChem CID:

135088346

Reduced:

ClO2N4C14H19 (1)

Stoich.:

AB2C4D14E19 (1)

Weight, g/mol:

695.346504

ΔHf, kcal/mol:

-69.08

Dipole, Da:

3.27

IP(EA), eV:

 -9.47(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(2-cyclopentylacetyl)-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)Cl

DOS

IR

Vibrations