Geometry & MOs

Info

ID:

302269

PubChem CID:

124360961

Reduced:

SN3O4C27H33 (1)

Stoich.:

AB3C4D27E33 (1)

Weight, g/mol:

516.219512

ΔHf, kcal/mol:

-147.37

Dipole, Da:

6.26

IP(EA), eV:

 -8.69(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,11R)-N-[(2S)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-9-oxo-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaene-11-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC1=CC(=CC=C1)OC)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations