Geometry & MOs

Info

ID:	217026
PubChem CID:	85087134
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	-2.57
Dipole, Da:	5.79
IP(EA), eV:	-8.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-carbamoyloxy-5-methoxythiolan-2-yl)methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CCC1=C2C(=O)NC(NN2C(=N1)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations