Geometry & MOs

Info

ID:	268444
PubChem CID:	103599406
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	428.202382
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	7.51
IP(EA), eV:	-9.05(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoyl]amino]ethyl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CCC#N)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations