Geometry & MOs

Info

ID:	43444
PubChem CID:	10321307
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	445.138151
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	2.34
IP(EA), eV:	-8.54(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-[(4-methylphenyl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

DOS

IR

Vibrations