Geometry & MOs

Info

ID:	189657
PubChem CID:	77885393
Reduced:	Cl2S2O4N5C12H13 (1)
Stoich.:	A2B2C4D5E12F13 (1)
Weight, g/mol:	550.13859
ΔH_f, kcal/mol:	-102.08
Dipole, Da:	2.69
IP(EA), eV:	-9.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]-1-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C(CSC2N1C(=O)C2NC(=O)C(Cl)Cl)(CSC3=NC=NN3)C(=O)O

DOS

IR

Vibrations