Geometry & MOs

Info

ID:	156291
PubChem CID:	56369984
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	475.99207
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	5.22
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chloropyridin-3-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NCC3=CSC(=N3)C(C)(C)C)C

DOS

IR

Vibrations