Geometry & MOs

Info

ID:	244704
PubChem CID:	99376457
Reduced:	SN4O5C24H30 (1)
Stoich.:	AB4C5D24E30 (1)
Weight, g/mol:	377.0375
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	6.11
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NCCC(=O)NCC2=CC=NC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations