Geometry & MOs

Info

ID:

84226

PubChem CID:

49865074

Reduced:

ClSN6O6C26H31 (1)

Stoich.:

ABC6D6E26F31 (1)

Weight, g/mol:

632.181996

ΔHf, kcal/mol:

-138.45

Dipole, Da:

4.46

IP(EA), eV:

 -8.93(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-1-[[2-[3-chloro-2-methyl-5-[(2-morpholin-4-yl-2-oxoethyl)amino]-6-oxopyrazin-1-yl]-2-phenylacetyl]amino]-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=O)N1C(C2=CC=CC=C2)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)NCC(=O)N(C)C)Cl

DOS

IR

Vibrations