Geometry & MOs

Info

ID:

219602

PubChem CID:

85149434

Reduced:

SiF2S2N6H28C30 (1)

Stoich.:

AB2C2D6E28F30 (1)

Weight, g/mol:

602.164221

ΔHf, kcal/mol:

42.72

Dipole, Da:

2.11

IP(EA), eV:

 -8.65(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-[8-chloro-3-hydroxy-4-oxo-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(=NN=C(N)S[Si](C1=CC=CC=C1)(C2=CC=CC=C2)SC(=NN=C(C)C3=CC=CC=C3F)N)C4=CC=CC=C4F

DOS

IR

Vibrations