Geometry & MOs

Info

ID:	33613
PubChem CID:	7887202
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	385.091869
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	2.95
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)C2=CC3=CC=CC=C3S2)C

DOS

IR

Vibrations