Geometry & MOs

Info

ID:	334382
PubChem CID:	127252934
Reduced:	N2O7C19H20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	521.227434
ΔH_f, kcal/mol:	-205.35
Dipole, Da:	5.69
IP(EA), eV:	-8.48(-1.04)
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-(1H-pyrazol-5-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)N)C(=O)C3=CC(=O)C(=CO3)OC)OC

DOS

IR

Vibrations