Geometry & MOs

Info

ID:	195822
PubChem CID:	78736076
Reduced:	BrSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	396.148535
ΔH_f, kcal/mol:	0.55
Dipole, Da:	6.24
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)CSC2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations