Geometry & MOs

Info

ID:	43512
PubChem CID:	10321407
Reduced:	SO2N5C23H37 (1)
Stoich.:	AB2C5D23E37 (1)
Weight, g/mol:	447.371244
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	5.9
IP(EA), eV:	-8.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3,5-trimethyl-4-octadecanoylpyrrol-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCC(CC3)NC(CC)(CC)CCO

DOS

IR

Vibrations