Geometry & MOs

Info

ID:	77395
PubChem CID:	48428299
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	1.78
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-methylphenyl)methoxy]phenyl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations