Geometry & MOs

Info

ID:	64114
PubChem CID:	29196201
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	3.08
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-N-pentylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)CCCOC

DOS

IR

Vibrations