Geometry & MOs

Info

ID:	121634
PubChem CID:	50775399
Reduced:	O2N3C13H15 (2)
Stoich.:	A2B3C13D15 (2)
Weight, g/mol:	481.91222
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	3.32
IP(EA), eV:	-9.31(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N3C1=NN(C3=O)CC(=O)NCC4=CC=C(C=C4)C

DOS

IR

Vibrations