Geometry & MOs

Info

ID:	446868
PubChem CID:	135278359
Reduced:	BrS2N6O8C54H63 (1)
Stoich.:	AB2C6D8E54F63 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-216.87
Dipole, Da:	14.45
IP(EA), eV:	-8.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethylpent-2-enamide

Drug info:

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCN4CCN(CC4)CCOC5=CC=C(C=C5)OC6=C(SC7=C6C=CC(=C7)OC)C8=CC=C(C=C8)Br)O

DOS

IR

Vibrations