Geometry & MOs

Info

ID:	150373
PubChem CID:	53790062
Reduced:	OC16H26 (1)
Stoich.:	AB16C26 (1)
Weight, g/mol:	525.229742
ΔH_f, kcal/mol:	-59.49
Dipole, Da:	3.86
IP(EA), eV:	-8.89(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CC=C(C)CCC=O

DOS

IR

Vibrations