Geometry & MOs

Info

ID:	415998
PubChem CID:	135089003
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	380.126674
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	5.21
IP(EA), eV:	-8.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=C(C=C2)CCC(C)(C)O

DOS

IR

Vibrations