Geometry & MOs

Info

ID:	235778
PubChem CID:	92710604
Reduced:	SN4O6C22H28 (1)
Stoich.:	AB4C6D22E28 (1)
Weight, g/mol:	489.139213
ΔH_f, kcal/mol:	-185.61
Dipole, Da:	9.45
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(4-methylsulfanylphenyl)methyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCNC(=O)[C@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations