Geometry & MOs

Info

ID:	436306
PubChem CID:	135198596
Reduced:	ClIN3O4C15H15 (1)
Stoich.:	ABC3D4E15F15 (1)
Weight, g/mol:	548.13828
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	6.89
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[4-[3-[(2-amino-1,3-oxazole-4-carbonyl)amino]-4-bromophenyl]-2-oxopiperazin-1-yl]methyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC(=CO1)C(=O)NC2=C(C=CC(=C2)I)Cl

DOS

IR

Vibrations