Geometry & MOs

Info

ID:	43421
PubChem CID:	10321268
Reduced:	ClN2O4H17C25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	444.120047
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	6.27
IP(EA), eV:	-9.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloroethyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)N3C(=CC(=N3)/C=C(/C4=CC(=CC=C4)Cl)\C(=O)O)C5=CC=CC=C5

DOS

IR

Vibrations