Geometry & MOs

Info

ID:	169639
PubChem CID:	75130327
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-95.47
Dipole, Da:	3.1
IP(EA), eV:	-8.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations