Geometry & MOs

Info

ID:	43445
PubChem CID:	10321309
Reduced:	NS2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	445.138151
ΔH_f, kcal/mol:	-150.31
Dipole, Da:	6.97
IP(EA), eV:	-9.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)CSC(=O)C

DOS

IR

Vibrations