Geometry & MOs

Info

ID:	42994
PubChem CID:	10317646
Reduced:	FOSN2H21C22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	1.69
Dipole, Da:	2.25
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-6-methyl-3-sulfanylheptanoate

Drug info:

PubChemData

Smile

C[C@]12CC3=C(C=C1CC[C@@H]2[C@H](C4=CSC=C4)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations