Geometry & MOs

Info

ID:	235411
PubChem CID:	92708698
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	7.79
IP(EA), eV:	-8.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-ethylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C[C@@H](C)S(=O)(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C4CC4)C

DOS

IR

Vibrations