Geometry & MOs

Info

ID:	361547
PubChem CID:	127303739
Reduced:	ON5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	397.087846
ΔH_f, kcal/mol:	-5.16
Dipole, Da:	5.64
IP(EA), eV:	-9.1(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC1=NN=CN1C2CC2)N3CCCCC3

DOS

IR

Vibrations