Geometry & MOs

Info

ID:	341862
PubChem CID:	127264555
Reduced:	SN3O7C18H21 (1)
Stoich.:	AB3C7D18E21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-227.38
Dipole, Da:	6.98
IP(EA), eV:	-9.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[ethyl(phenylmethoxycarbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)ON3C(=O)CCC3=O

DOS

IR

Vibrations