Geometry & MOs

Info

ID:	421195
PubChem CID:	135115535
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	422.192961
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	6.09
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-ylmethyl)-11-[[3-(trifluoromethyl)phenyl]methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2C(=O)C(C)C)C(=O)NCC3=CN4C(=C(SC4=N3)C)C

DOS

IR

Vibrations