Geometry & MOs

Info

ID:	307382
PubChem CID:	125299744
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	408.02556
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	1.75
IP(EA), eV:	-9.16(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-[(3R)-6-bromo-3H-indazol-3-yl]-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=NN=C(C4)C5=CC=CC=C5

DOS

IR

Vibrations