Geometry & MOs

Info

ID:	307351
PubChem CID:	125299657
Reduced:	ClO2S2N4H19C21 (1)
Stoich.:	AB2C2D4E19F21 (1)
Weight, g/mol:	375.168188
ΔH_f, kcal/mol:	40.46
Dipole, Da:	4.79
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]pentanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)N3C(=O)[C@H](C(=N3)CSC4=CC=C(C=C4)Cl)C=NCCCO

DOS

IR

Vibrations