Geometry & MOs

Info

ID:	334210
PubChem CID:	127252762
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	571.243084
ΔH_f, kcal/mol:	-192.61
Dipole, Da:	4.37
IP(EA), eV:	-8.85(-0.79)
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-(3H-benzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1=C2CCN(C(=O)C2=C(C3=C1OCO3)O)C

DOS

IR

Vibrations