Geometry & MOs

Info

ID:	444541
PubChem CID:	135262771
Reduced:	NOC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	414.076469
ΔH_f, kcal/mol:	1.22
Dipole, Da:	4.87
IP(EA), eV:	-8.53(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)NC=C5)C

DOS

IR

Vibrations