Geometry & MOs

Info

ID:	44389
PubChem CID:	10503319
Reduced:	NS2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	441.244999
ΔH_f, kcal/mol:	-84.8
Dipole, Da:	10.23
IP(EA), eV:	-8.94(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=C3[C@@H]4CC[C@@H](C4)C3=C(N2)C5=CC=C(C=C5)S(=O)(=O)C

DOS

IR

Vibrations