Geometry & MOs

Info

ID:	380846
PubChem CID:	134971417
Reduced:	PN2O11C28H45 (1)
Stoich.:	AB2C11D28E45 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-539.44
Dipole, Da:	8.16
IP(EA), eV:	-9.21(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-10-methylidene-2-(propan-2-ylamino)-5H-[1,3]thiazolo[4,5-c][1]benzazepin-4-one

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H](C(CO)(C(=O)[O-])[NH+]=CC1=C(C=[NH+]C=C1COP(=O)(O)[O-])O)O)O

DOS

IR

Vibrations