Geometry & MOs

Info

ID:	352584
PubChem CID:	127283672
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	6.32
IP(EA), eV:	-8.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)NCC(C)N3CCOCC3

DOS

IR

Vibrations