Geometry & MOs

Info

ID:	188120
PubChem CID:	77668642
Reduced:	SN3O6C20H25 (1)
Stoich.:	AB3C6D20E25 (1)
Weight, g/mol:	467.187878
ΔH_f, kcal/mol:	-210.23
Dipole, Da:	9.55
IP(EA), eV:	-9.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)N3CCNC3=O

DOS

IR

Vibrations