Geometry & MOs

Info

ID:	245184
PubChem CID:	99437811
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	417.129317
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	8.49
IP(EA), eV:	-9.66(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C2=NC(=NO2)C3=CN=CC=C3)C(C)C

DOS

IR

Vibrations