Geometry & MOs

Info

ID:	235409
PubChem CID:	92708690
Reduced:	SN3O5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	440.176979
ΔH_f, kcal/mol:	-127.15
Dipole, Da:	7.2
IP(EA), eV:	-8.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)COC(=O)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations