Geometry & MOs

Info

ID:	135402
PubChem CID:	51866984
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	6.73
IP(EA), eV:	-9.42(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCCO[C@@H](C)C1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations