Geometry & MOs

Info

ID:	238675
PubChem CID:	92765034
Reduced:	ON4C30H40 (1)
Stoich.:	AB4C30D40 (1)
Weight, g/mol:	488.191583
ΔH_f, kcal/mol:	-17.67
Dipole, Da:	3.67
IP(EA), eV:	-8.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC3=C(C=C(C=C3C)C)C)[C@H](C4(C2=O)CCCCC4)N5CCN(CC5)C

DOS

IR

Vibrations