Geometry & MOs

Info

ID:	352497
PubChem CID:	127283585
Reduced:	O3N6C14H22 (1)
Stoich.:	A3B6C14D22 (1)
Weight, g/mol:	399.103497
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	10.4
IP(EA), eV:	-9.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)NCC2=NN=CN2C(C)C

DOS

IR

Vibrations