Geometry & MOs

Info

ID:	168973
PubChem CID:	75047620
Reduced:	SN2O4C6H10 (1)
Stoich.:	AB2C4D6E10 (1)
Weight, g/mol:	573.236267
ΔH_f, kcal/mol:	-119.95
Dipole, Da:	3.46
IP(EA), eV:	-9.73(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-oxo-2-(4-phenylmethoxybut-2-enyl)oxetane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC(CSN=O)C(=O)O

DOS

IR

Vibrations