Geometry & MOs

Info

ID:	155128
PubChem CID:	56320729
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	468.102289
ΔH_f, kcal/mol:	-213.64
Dipole, Da:	6.31
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-[3-[(3-hydroxybenzoyl)amino]propyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations