Geometry & MOs

Info

ID:	438975
PubChem CID:	135228736
Reduced:	N2O6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	354.2341
ΔH_f, kcal/mol:	-52.99
Dipole, Da:	6.82
IP(EA), eV:	-8.84(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-ethenyl-N,3-dimethyl-6-[[(2R)-2-methylsulfanylbut-3-enoyl]amino]-N-propan-2-ylheptanamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=C(C=C1)N=O)OC)/C(=C\C2=CC(=C(C=C2)N=O)OC)/C(=O)OC

DOS

IR

Vibrations