Geometry & MOs

Info

ID:	363460
PubChem CID:	127311263
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	399.103497
ΔH_f, kcal/mol:	43.32
Dipole, Da:	6.76
IP(EA), eV:	-9.83(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-morpholin-4-ylsulfonyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1CNC(=O)C2=C(N(N=C2)C)C3CC3

DOS

IR

Vibrations