Geometry & MOs

Info

ID:	382448
PubChem CID:	134973604
Reduced:	S2N3O3H13C14 (1)
Stoich.:	A2B3C3D13E14 (1)
Weight, g/mol:	499.220617
ΔH_f, kcal/mol:	18.87
Dipole, Da:	9.6
IP(EA), eV:	-9.25(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,2-dimethoxyethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])C(=C2SCCS2)C#N

DOS

IR

Vibrations