Geometry & MOs

Info

ID:	433231
PubChem CID:	135173368
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	5.89
IP(EA), eV:	-8.39(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-7-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)pyrimidin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S

DOS

IR

Vibrations