Geometry & MOs

Info

ID:	416833
PubChem CID:	135090525
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-13.09
Dipole, Da:	6.16
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=CC(=C4)C5=CC=CC=C5OC

DOS

IR

Vibrations