Geometry & MOs

Info

ID:	237712
PubChem CID:	92720998
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	8.44
Dipole, Da:	7.63
IP(EA), eV:	-8.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@@H]2C3=C(NN(C3=NC(=O)CS2)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations