Geometry & MOs

Info

ID:	307980
PubChem CID:	125311135
Reduced:	SN5O5H21C23 (1)
Stoich.:	AB5C5D21E23 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-8.84
Dipole, Da:	4.46
IP(EA), eV:	-8.39(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1S)-1-amino-2-[[(R)-carboxy(phenyl)methyl]amino]-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CS[C@@H]3N=NC(=O)C4=CC(=NN34)C5=CC=CO5)OC

DOS

IR

Vibrations