Geometry & MOs

Info

ID:	315527
PubChem CID:	126627375
Reduced:	FSO2N3C27H32 (1)
Stoich.:	ABC2D3E27F32 (1)
Weight, g/mol:	368.158351
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	5.87
IP(EA), eV:	-9.22(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-formamido-2-methyl-5-oxo-5-[(3,4,5-trimethoxyphenyl)methylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)C2=CN=C(S2)C3=CC=C(C=C3)F

DOS

IR

Vibrations