Geometry & MOs

Info

ID:	415529
PubChem CID:	135088525
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	5.31
IP(EA), eV:	-9.19(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CCC(=O)N(CCO)CC2=CN=CN2C)C

DOS

IR

Vibrations