Geometry & MOs

Info

ID:	449839
PubChem CID:	135302043
Reduced:	SN7O15C28H47 (1)
Stoich.:	AB7C15D28E47 (1)
Weight, g/mol:	480.136446
ΔH_f, kcal/mol:	-663.64
Dipole, Da:	2.64
IP(EA), eV:	-9.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[4-(3-carbamoyl-6-piperazin-1-ylpyridin-2-yl)phenoxy]-5-fluorophenyl]prop-2-enoyl chloride

Drug info:

PubChemData

Smile

COC(=O)CN(CCN(CC(=O)NCCN(CCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)C(=O)CCS)CC(=O)O)CC(=O)O

DOS

IR

Vibrations