Geometry & MOs

Info

ID:	376550
PubChem CID:	134222569
Reduced:	FSO3N10H25C29 (1)
Stoich.:	ABC3D10E25F29 (1)
Weight, g/mol:	254.04582
ΔH_f, kcal/mol:	38.08
Dipole, Da:	8.55
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diacetamidobenzoyl chloride

Drug info:

PubChemData

Smile

CC1=C(N2C=CCC2=N1)C3=CSC(=N3)NC(=O)C4CC(CN4C(=O)CN5C6=C(C=C(C=C6)C7=CN=NC=C7)C(=N5)C(=O)N)F

DOS

IR

Vibrations