Geometry & MOs

Info

ID:	155608
PubChem CID:	56366262
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	492.115353
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	6.11
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-[(2,4-dichlorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations