Geometry & MOs

Info

ID:	334889
PubChem CID:	127253695
Reduced:	NO6C24H25 (1)
Stoich.:	AB6C24D25 (1)
Weight, g/mol:	577.290034
ΔH_f, kcal/mol:	-180.4
Dipole, Da:	5.49
IP(EA), eV:	-8.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)OCC(CN1C2=C(C3=C(C1=O)C(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C42)O

DOS

IR

Vibrations