Geometry & MOs

Info

ID:	32765
PubChem CID:	7848121
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	392.064234
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	6.38
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluoroanilino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N

DOS

IR

Vibrations