Geometry & MOs

Info

ID:	313776
PubChem CID:	126617567
Reduced:	FS2N4O7C28H31 (1)
Stoich.:	AB2C4D7E28F31 (1)
Weight, g/mol:	407.115107
ΔH_f, kcal/mol:	-251.75
Dipole, Da:	11.33
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-carbamoyl-5-(cyclopropylsulfonylcarbamoyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C3CC3)CC(=O)N4C[C@@H](C[C@H]4CCNS(=O)(=O)C5=CC=CC=C5)F

DOS

IR

Vibrations