Geometry & MOs

Info

ID:	222672
PubChem CID:	85310392
Reduced:	N6O7C18H22 (1)
Stoich.:	A6B7C18D22 (1)
Weight, g/mol:	284.038627
ΔH_f, kcal/mol:	-83.94
Dipole, Da:	4.94
IP(EA), eV:	-9.72(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(4-chloro-2,3-dihydrothiochromen-4-yl)imino]carbamate

Drug info:

PubChemData

Smile

C1CC2C(=O)NCCN(CCNC(=O)CN2C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations