Geometry & MOs

Info

ID:	311949
PubChem CID:	126599431
Reduced:	S2O6N10C35H48 (1)
Stoich.:	A2B6C10D35E48 (1)
Weight, g/mol:	189.100108
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	2.27
IP(EA), eV:	-9.14(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(ethoxymethoxy)-2-iminopropanoate

Drug info:

PubChemData

Smile

C[C@@H](CCCNC(=O)[C@H](C(C)C)NC(=O)OC)C1=NC=C(N1)C2=NC=C(S2)C3=CN=C(S3)C4=CN=C(N4)[C@@H]5CCCN5C(=O)[C@H](C(C)C)NC(=O)OC

DOS

IR

Vibrations