Geometry & MOs

Info

ID:	42614
PubChem CID:	8149775
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	361.075072
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	4.38
IP(EA), eV:	-8.52(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)N4CCN(CC4)C5=CC=CC=C5O

DOS

IR

Vibrations