Geometry & MOs

Info

ID:	235795
PubChem CID:	92710655
Reduced:	S2N3O4C21H33 (1)
Stoich.:	A2B3C4D21E33 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-177.69
Dipole, Da:	3.54
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)[C@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations