Geometry & MOs

Info

ID:	367820
PubChem CID:	127325924
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	387.198048
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	5.67
IP(EA), eV:	-8.69(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-methylcyclohexyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3=NN(C(=O)C=C3)CCOC

DOS

IR

Vibrations