Geometry & MOs

Info

ID:	128646
PubChem CID:	51053104
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	6.07
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=CC=CC=C2C(C13CCCCC3)C(=O)NC4=NN=C(S4)COC

DOS

IR

Vibrations