Geometry & MOs

Info

ID:	138767
PubChem CID:	52423297
Reduced:	O4N5C18H25 (1)
Stoich.:	A4B5C18D25 (1)
Weight, g/mol:	367.216772
ΔH_f, kcal/mol:	-44.05
Dipole, Da:	5.85
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-1-phenylethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC[C@@H](C2=CC(=CC=C2)OC)N(C)C)C)[N+](=O)[O-]

DOS

IR

Vibrations