Geometry & MOs

Info

ID:	33286
PubChem CID:	7885834
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	417.154469
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	3.75
IP(EA), eV:	-9.0(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations