Geometry & MOs

Info

ID:	173952
PubChem CID:	75705292
Reduced:	N2O5C29H34 (1)
Stoich.:	A2B5C29D34 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-143.11
Dipole, Da:	3.93
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[furan-2-ylmethyl(3-methylbut-2-enoyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]pent-3-enamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1=CC2=C(C=C1)OCO2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations