Geometry & MOs

Info

ID:	33363
PubChem CID:	7886091
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	417.154469
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.88
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)C

DOS

IR

Vibrations