Geometry & MOs

Info

ID:	416221
PubChem CID:	135089231
Reduced:	N2O2S2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	4.39
IP(EA), eV:	-9.07(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,3-dimethylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanediamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CCC3=NC4=CC=CC=C4S3)C5=C1C=CS5

DOS

IR

Vibrations