Geometry & MOs

Info

ID:	233588
PubChem CID:	91145541
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	627.8893
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	6.09
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3,5-dibromo-2-[3-(4-chlorophenyl)sulfonyl-1H-indol-5-yl]-4-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC.CC.C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations