Geometry & MOs

Info

ID:	235776
PubChem CID:	92710599
Reduced:	SN3O7C23H25 (1)
Stoich.:	AB3C7D23E25 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-224.12
Dipole, Da:	6.17
IP(EA), eV:	-9.17(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations