Geometry & MOs

Info

ID:	436305
PubChem CID:	135198588
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	462.97958
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	5.58
IP(EA), eV:	-8.28(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[(2-chloro-5-iodophenyl)carbamoyl]-1,3-oxazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C2=CCC(C=C2)N3CCNCC3)NC(C4=COC(=N4)N)O

DOS

IR

Vibrations