Geometry & MOs

Info

ID:	61443
PubChem CID:	26709437
Reduced:	BrN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	427.102434
ΔH_f, kcal/mol:	-167.35
Dipole, Da:	5.03
IP(EA), eV:	-9.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-1-methylsulfonyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)C[C@@H](COC3=CC=C(C=C3)Br)O

DOS

IR

Vibrations