Geometry & MOs

Info

ID:	149331
PubChem CID:	53789003
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	238.000805
ΔH_f, kcal/mol:	11.55
Dipole, Da:	4.46
IP(EA), eV:	-8.65(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamoylcarbamoyloxysulfanyl N-carbamoylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(N(N1OC=O)CCOC2=CC=CC=C2)C3=NC=CN=C3

DOS

IR

Vibrations