Geometry & MOs

Info

ID:	179287
PubChem CID:	76461400
Reduced:	N3O3C18H31 (2)
Stoich.:	A3B3C18D31 (2)
Weight, g/mol:	421.218784
ΔH_f, kcal/mol:	-281.88
Dipole, Da:	3.84
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[2-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)phenyl]aniline

Drug info:

PubChemData

Smile

CCCN(CCC)CCNC(=O)C1=CC=C(C=C1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N(C)OC

DOS

IR

Vibrations