Geometry & MOs

Info

ID:	302081
PubChem CID:	124349264
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	-107.2
Dipole, Da:	6.6
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(6R,6aR)-4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1([C@H](N2[C@H](S1)[C@H](C2=O)N=CN3CCCCCC3)C(=O)O)C

DOS

IR

Vibrations