Geometry & MOs

Info

ID:	335731
PubChem CID:	127254593
Reduced:	SO3N5C12H21 (1)
Stoich.:	AB3C5D12E21 (1)
Weight, g/mol:	556.199822
ΔH_f, kcal/mol:	-74.39
Dipole, Da:	7.31
IP(EA), eV:	-10.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (11S,12R,16S)-14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC1CCS(=O)(=O)C1)N2C=NN=N2

DOS

IR

Vibrations