Geometry & MOs

Info

ID:	187803
PubChem CID:	77627167
Reduced:	F2N2O3C29H32 (1)
Stoich.:	A2B2C3D29E32 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-183.03
Dipole, Da:	2.55
IP(EA), eV:	-9.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-7-[3-(dimethylamino)-2-oxopyrrolidin-1-yl]-6-(2-ethylphenyl)-5-methyl-1,3-benzoxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC2=C(CCCC2NCC(C(CC3=CC(=CC(=C3)F)F)N(C4=CC=CC=C4)C(=O)O)O)C=C1

DOS

IR

Vibrations