Geometry & MOs

Info

ID:	237732
PubChem CID:	92721116
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	355.081305
ΔH_f, kcal/mol:	7.12
Dipole, Da:	6.09
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-methyl-1-(2-methylphenyl)-4-thiophen-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C3=NC(=O)CS[C@H](C3=C(N2)C)C4=CC=C(C=C4)O

DOS

IR

Vibrations