Geometry & MOs

Info

ID:	334708
PubChem CID:	127253383
Reduced:	N4O5H14C15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	602.27405
ΔH_f, kcal/mol:	-168.27
Dipole, Da:	4.99
IP(EA), eV:	-9.04(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)C2=C(NC(=O)N2)C3=CC=C(C=C3)O

DOS

IR

Vibrations