Geometry & MOs

Info

ID:	355271
PubChem CID:	127288203
Reduced:	S2O4N5C14H19 (1)
Stoich.:	A2B4C5D14E19 (1)
Weight, g/mol:	385.087846
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	5.27
IP(EA), eV:	-9.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-morpholin-4-ylsulfonylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations