Geometry & MOs

Info

ID:	64494
PubChem CID:	29201629
Reduced:	N3O6H15C17 (1)
Stoich.:	A3B6C15D17 (1)
Weight, g/mol:	460.130422
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	3.7
IP(EA), eV:	-8.75(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-1-oxopropan-2-yl] (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations