Geometry & MOs

Info

ID:	436308
PubChem CID:	135198616
Reduced:	BrSO3N6C21H39 (1)
Stoich.:	ABC3D6E21F39 (1)
Weight, g/mol:	413.161853
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	8.38
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCN(CCNC1=CC(C(C=C1)Br)NC(=O)CN=C(N)OC)S(=O)CC(C)CNC(C)C

DOS

IR

Vibrations