Geometry & MOs

Info

ID:	149974
PubChem CID:	53789657
Reduced:	OH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	511.243084
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	0.87
IP(EA), eV:	-8.32(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[(2S)-2-[(5-carbamimidoylpyridine-2-carbonyl)amino]-3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]oxyacetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC2=CC=CC3=C2C=CC=C3O)C

DOS

IR

Vibrations