Geometry & MOs

Info

ID:	444506
PubChem CID:	135262700
Reduced:	OSN7C23H27 (1)
Stoich.:	ABC7D23E27 (1)
Weight, g/mol:	414.076469
ΔH_f, kcal/mol:	64.98
Dipole, Da:	0.89
IP(EA), eV:	-8.47(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCN5C(=NC=N5)C4

DOS

IR

Vibrations