Geometry & MOs

Info

ID:	177123
PubChem CID:	76137054
Reduced:	N5C9H15 (1)
Stoich.:	A5B9C15 (1)
Weight, g/mol:	437.198442
ΔH_f, kcal/mol:	81.79
Dipole, Da:	11.5
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-6-(diethylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC1=NN=CN1N=C(C)C=CN(C)C

DOS

IR

Vibrations