Geometry & MOs

Info

ID:	165397
PubChem CID:	74545423
Reduced:	SN4O4C9H18 (1)
Stoich.:	AB4C4D9E18 (1)
Weight, g/mol:	479.216869
ΔH_f, kcal/mol:	-129.55
Dipole, Da:	3.04
IP(EA), eV:	-9.1(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-2-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CCC(=NNC(NN)SC)C(=O)OC

DOS

IR

Vibrations