Geometry & MOs

Info

ID:	243351
PubChem CID:	99222704
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	2.74
IP(EA), eV:	-8.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1S)-1-(4-propylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations