Geometry & MOs

Info

ID:	417628
PubChem CID:	135102326
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	3.81
IP(EA), eV:	-9.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(cyclopropylmethyl)-3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations