Geometry & MOs

Info

ID:	204607
PubChem CID:	79988424
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	368.97041
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	1.89
IP(EA), eV:	-8.98(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCNC(CC12CC3CC(C1)CC(C3)C2)C4=CC=CO4

DOS

IR

Vibrations