Geometry & MOs

Info

ID:	10677
PubChem CID:	106580
Reduced:	N2O3H9C10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	410.122634
ΔH_f, kcal/mol:	-170.14
Dipole, Da:	6.61
IP(EA), eV:	-9.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(isocyanatomethyl)phenyl]carbamoyloxy]ethyl N-[3-(isocyanatomethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)OCCOC(=O)NC2=CC=CC(=C2)CN=C=O)CN=C=O

DOS

IR

Vibrations