Geometry & MOs

Info

ID:	433626
PubChem CID:	135173766
Reduced:	N4O5C8H8 (1)
Stoich.:	A4B5C8D8 (1)
Weight, g/mol:	431.12084
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	8.72
IP(EA), eV:	-10.0(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-[2-[2-(3-bromo-2-methylphenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]prop-2-enyl-methylamino]-3-methylbutan-2-one

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations