Geometry & MOs

Info

ID:	422069
PubChem CID:	135117125
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	362.120132
ΔH_f, kcal/mol:	-153.95
Dipole, Da:	3.91
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(quinolin-4-ylmethyl)-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=NC=CC(=C3)OC

DOS

IR

Vibrations