Geometry & MOs

Info

ID:	146584
PubChem CID:	53708144
Reduced:	S2N6O8C23H32 (1)
Stoich.:	A2B6C8D23E32 (1)
Weight, g/mol:	237.045964
ΔH_f, kcal/mol:	-220.5
Dipole, Da:	2.88
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxy-1H-indol-2-yl)methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CSC(=N3)N)CONC(=O)OC(C)(C)C

DOS

IR

Vibrations