Geometry & MOs

Info

ID:

237653

PubChem CID:

92720222

Reduced:

SN4O4C26H26 (1)

Stoich.:

AB4C4D26E26 (1)

Weight, g/mol:

488.134068

ΔHf, kcal/mol:

-92.22

Dipole, Da:

9.29

IP(EA), eV:

 -9.1(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-cyano-2-methyl-6-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@@H](C)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C)C

DOS

IR

Vibrations