Geometry & MOs

Info

ID:	307290
PubChem CID:	125299357
Reduced:	ClSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	385.01744
ΔH_f, kcal/mol:	-98.35
Dipole, Da:	6.49
IP(EA), eV:	-8.22(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-6-amino-5'-bromo-1',3-dimethyl-2'-oxospiro[3H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC=C(C=C2)NCC(=O)CNC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations