Geometry & MOs

Info

ID:	43727
PubChem CID:	10321703
Reduced:	ClNO7C22H28 (1)
Stoich.:	ABC7D22E28 (1)
Weight, g/mol:	453.102624
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	26.17
IP(EA), eV:	-9.86(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[[2-[2-[3-chloro-4-(1,3-thiazol-2-yl)anilino]-1,3-oxazol-5-yl]phenyl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC1([C@H]2C3=CC=CC=C3[C@@H](C1(C)C)[N+]4=CC=CC(=C24)OC)OCC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations