Geometry & MOs

Info

ID:	449586
PubChem CID:	135299859
Reduced:	N6C17H24 (1)
Stoich.:	A6B17C24 (1)
Weight, g/mol:	552.192167
ΔH_f, kcal/mol:	70.51
Dipole, Da:	4.57
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-N'-[(E)-2-chloroprop-1-enyl]-3-[[4-(2,6-dimethoxyphenyl)-5-[(3R)-oxan-3-yl]-1,2,4-triazol-3-yl]sulfamoyl]-2-methyl-N-methylidenebutanimidamide

Drug info:

PubChemData

Smile

CN=CCN1C[C@H]2CC(C[C@H]2C1)N(C)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations