Geometry & MOs

Info

ID:	336892
PubChem CID:	127255899
Reduced:	SiO4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	534.147011
ΔH_f, kcal/mol:	-174.19
Dipole, Da:	2.05
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoropyridin-4-yl)carbamoyl]phenyl]benzoyl]amino]benzoate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1C2C1OC3=C2C=C(C=C3)O[Si](C)(C)C

DOS

IR

Vibrations