Geometry & MOs

Info

ID:	122651
PubChem CID:	50816198
Reduced:	O2N3H23C26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	5.87
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-2-[(3-methylphenyl)methyl]-1,1-dioxo-3H-1lambda6,2,5-benzothiadiazepin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations