Geometry & MOs

Info

ID:	166189
PubChem CID:	74649057
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	450.193691
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	7.7
IP(EA), eV:	-8.86(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NC(=O)CN3CCCCCC3=O

DOS

IR

Vibrations