Geometry & MOs

Info

ID:	44051
PubChem CID:	10500618
Reduced:	O5C23H34 (1)
Stoich.:	A5B23C34 (1)
Weight, g/mol:	390.218843
ΔH_f, kcal/mol:	-203.73
Dipole, Da:	4.98
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoyl]amino]pentanoate

Drug info:

PubChemData

Smile

CCCCCCC/C=C/C=C(\C)/C=C/[C@H]1CC2(C[C@@H]1OC(=O)C=O)OCCO2

DOS

IR

Vibrations