Geometry & MOs

Info

ID:	424821
PubChem CID:	135124068
Reduced:	S2O4N7C37H45 (1)
Stoich.:	A2B4C7D37E45 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-38.62
Dipole, Da:	3.22
IP(EA), eV:	-8.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan;3-methylbutyl propanoate

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CN=C(N=C6)SC)C

DOS

IR

Vibrations