Geometry & MOs

Info

ID:	137443
PubChem CID:	52208958
Reduced:	O4N5C16H25 (1)
Stoich.:	A4B5C16D25 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-100.78
Dipole, Da:	5.93
IP(EA), eV:	-8.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-cyclopentyloxy-3-methoxyphenyl)-3-methyl-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNC(=O)C2=NC(=NO2)CC(=O)N3CCOCC3

DOS

IR

Vibrations