Geometry & MOs

Info

ID:	360204
PubChem CID:	127300847
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-70.84
Dipole, Da:	5.57
IP(EA), eV:	-8.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations