Geometry & MOs

Info

ID:	15563
PubChem CID:	444366
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-183.5
Dipole, Da:	6.53
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O

DOS

IR

Vibrations