Geometry & MOs

Info

ID:	174031
PubChem CID:	75713538
Reduced:	SN2O4C25H32 (1)
Stoich.:	AB2C4D25E32 (1)
Weight, g/mol:	482.293328
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	7.31
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[methyl(4-pyren-4-ylbutanoyl)amino]hept-3-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(C2=CC=CC=C2C)N(C)C(=O)C3CCCCC3

DOS

IR

Vibrations