Geometry & MOs

Info

ID:	42038
PubChem CID:	8148211
Reduced:	O2S2N4C16H19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	362.087118
ΔH_f, kcal/mol:	-19.37
Dipole, Da:	17.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.932769
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1S)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)[NH2+]CCNC(=O)C

DOS

IR

Vibrations