Geometry & MOs

Info

ID:	235230
PubChem CID:	92304254
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	415.170748
ΔH_f, kcal/mol:	23.33
Dipole, Da:	1.58
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-(2,4-difluorobenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3C)C

DOS

IR

Vibrations