Geometry & MOs

Info

ID:	42610
PubChem CID:	8149768
Reduced:	ClFOS2N3H13C18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	361.075072
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	3.57
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations