Geometry & MOs

Info

ID:	134341
PubChem CID:	51683407
Reduced:	ClFSN3O4C23H29 (1)
Stoich.:	ABCD3E4F23G29 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-177.12
Dipole, Da:	3.27
IP(EA), eV:	-9.07(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC[C@@H](C3=C(C=CC=C3Cl)F)N(C)C

DOS

IR

Vibrations