Geometry & MOs

Info

ID:	70252
PubChem CID:	48409743
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	400.123898
ΔH_f, kcal/mol:	-51.46
Dipole, Da:	3.09
IP(EA), eV:	-8.84(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-(thiophen-2-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CC=C(C=C2)CN3CCCCC3

DOS

IR

Vibrations