Geometry & MOs

Info

ID:	335202
PubChem CID:	127254063
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	585.258734
ΔH_f, kcal/mol:	-109.02
Dipole, Da:	2.13
IP(EA), eV:	-8.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1-methylbenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C(O2)C3=CC=C(C=C3)OC)CC(=O)NCCC4=CC=CC=N4

DOS

IR

Vibrations