Geometry & MOs

Info

ID:	43301
PubChem CID:	10320964
Reduced:	SN3O9C16H29 (1)
Stoich.:	AB3C9D16E29 (1)
Weight, g/mol:	439.254501
ΔH_f, kcal/mol:	-439.26
Dipole, Da:	2.71
IP(EA), eV:	-10.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-(3-ethyl-3-hydroxypent-4-ynyl)-3-methylphenyl]pentan-3-yl]-N,N,3-trimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)O)NS(=O)(=O)C(CC(=O)O)CNC(=O)[C@H](CC(C)C)NC(=O)C)O

DOS

IR

Vibrations