Geometry & MOs

Info

ID:	33502
PubChem CID:	7886768
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	333.096955
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	4.12
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-pyrrolidin-1-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CC=C(C=C2)CO

DOS

IR

Vibrations