Geometry & MOs

Info

ID:	33372
PubChem CID:	7886117
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	411.107519
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	3.4
IP(EA), eV:	-8.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

DOS

IR

Vibrations