Geometry & MOs

Info

ID:	244367
PubChem CID:	99344302
Reduced:	S2N4O6C17H18 (1)
Stoich.:	A2B4C6D17E18 (1)
Weight, g/mol:	445.92998
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	8.25
IP(EA), eV:	-10.0(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2S)-2-[(5-bromofuran-3-carbonyl)amino]-2-cyclopropylethyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)NC[C@H](C2CC2)NC(=O)C3=CC(=C(S3)C)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations