Geometry & MOs

Info

ID:	243956
PubChem CID:	99303004
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	2.72
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-benzyl-3-[[2-(3-methylindol-1-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC=NC=C2)CC(=O)N(C[C@H]3CCCO3)CC4=CC=CC=C4OC

DOS

IR

Vibrations