Geometry & MOs

Info

ID:

44395

PubChem CID:

10503360

Reduced:

N2O3C28H30 (1)

Stoich.:

A2B3C28D30 (1)

Weight, g/mol:

442.192629

ΔHf, kcal/mol:

3.52

Dipole, Da:

2.16

IP(EA), eV:

 -8.23(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate

Drug info:

PubChemData

Smile

CCO[C@@]12CC3=C([C@H]4[C@@]15CCN([C@@H]2CC6=C5C(=C(C=C6)O)O4)CC7CC7)NC8=CC=CC=C38

DOS

IR

Vibrations