Geometry & MOs

Info

ID:	128527
PubChem CID:	51048784
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-66.22
Dipole, Da:	6.25
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-3-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)CNC(=O)C(=O)NC3=CNC=CC3=O

DOS

IR

Vibrations