Geometry & MOs

Info

ID:

219585

PubChem CID:

85149347

Reduced:

S2N3O7C28H35 (1)

Stoich.:

A2B3C7D28E35 (1)

Weight, g/mol:

600.342404

ΔHf, kcal/mol:

-245.52

Dipole, Da:

5.57

IP(EA), eV:

 -9.62(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-7-methyl-2,4-dioxo-3-phenyl-N,N-bis(prop-2-enyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)SC=N5

DOS

IR

Vibrations