Geometry & MOs

Info

ID:	138171
PubChem CID:	52323265
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	273.217818
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	2.06
IP(EA), eV:	-8.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-ethoxy-2-oxoethyl)-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propan-2-ylazanium

Drug info:

PubChemData

Smile

C1COCCN1C[C@H](C2=CC=CC=C2)NCC(=O)NCCN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=O

DOS

IR

Vibrations