Geometry & MOs

Info

ID:	422932
PubChem CID:	135118644
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	439.179044
ΔH_f, kcal/mol:	-34.57
Dipole, Da:	3.3
IP(EA), eV:	-8.96(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(1-phenyltetrazol-5-yl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations