Geometry & MOs

Info

ID:	334227
PubChem CID:	127252779
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-118.52
Dipole, Da:	1.91
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[(2S)-4-methylsulfanyl-2-pyrrol-1-ylbutanoyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1CCC2(CCN(CC2C1)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3)O

DOS

IR

Vibrations