Geometry & MOs

Info

ID:	175508
PubChem CID:	75911813
Reduced:	S2N3O5C21H33 (1)
Stoich.:	A2B3C5D21E33 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-237.42
Dipole, Da:	3.89
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-diphenylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations