Geometry & MOs

Info

ID:	432622
PubChem CID:	135172758
Reduced:	N5O8C37H61 (1)
Stoich.:	A5B8C37D61 (1)
Weight, g/mol:	251.028396
ΔH_f, kcal/mol:	-398.35
Dipole, Da:	3.92
IP(EA), eV:	-9.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2-methylidenepyrrolidin-1-yl)thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2C)C(=O)O)OC)OC)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations