Geometry & MOs

Info

ID:	155382
PubChem CID:	56353013
Reduced:	SN3O6C23H31 (1)
Stoich.:	AB3C6D23E31 (1)
Weight, g/mol:	486.193691
ΔH_f, kcal/mol:	-236.25
Dipole, Da:	6.06
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[3-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]phenyl]sulfonylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=CC(=CC=C2)OC

DOS

IR

Vibrations