Geometry & MOs

Info

ID:	69079
PubChem CID:	46517822
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	1.08
Dipole, Da:	5.55
IP(EA), eV:	-8.98(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylmorpholin-4-yl)-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCCNC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations