Geometry & MOs

Info

ID:	142554
PubChem CID:	53056509
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	388.091535
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	8.98
IP(EA), eV:	-9.17(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,5-dimethyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-3-yl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=CC=C(C=C1)C)N2C(=O)C3=NOC(=C3C(=N2)C)C

DOS

IR

Vibrations