Geometry & MOs

Info

ID:	443368
PubChem CID:	135258745
Reduced:	SO4N6C29H32 (1)
Stoich.:	AB4C6D29E32 (1)
Weight, g/mol:	436.178693
ΔH_f, kcal/mol:	-101.23
Dipole, Da:	7.91
IP(EA), eV:	-8.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(1H-indol-3-yl)propyl]-4-(2-methoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C6=C(C[C@H](CC6)C(=O)N7C[C@H]8C[C@@H]7CO8)SC5=NC=N4)CCCCC3

DOS

IR

Vibrations