Geometry & MOs

Info

ID:	44516
PubChem CID:	10503865
Reduced:	NSO5C25H27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	8.48
IP(EA), eV:	-9.25(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-[[1-methyl-6-(C-methylsulfanylcarbonimidoyl)indole-2-carbonyl]amino]phenoxy]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)CCCC(=O)OC

DOS

IR

Vibrations