Geometry & MOs

Info

ID:	44265
PubChem CID:	10502276
Reduced:	NSO2F3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	421.155909
ΔH_f, kcal/mol:	-192.72
Dipole, Da:	3.95
IP(EA), eV:	-9.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-[ethyl(phenylmethoxycarbonyl)amino]-2-hydroxybutyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C(C2=CC=CC=C2)C(=O)SC3=CC=CC=C3)C(=O)C(F)(F)F

DOS

IR

Vibrations