Geometry & MOs

Info

ID:	314047
PubChem CID:	126620092
Reduced:	ClS2N9O11C55H72 (1)
Stoich.:	AB2C9D11E55F72 (1)
Weight, g/mol:	201.172879
ΔH_f, kcal/mol:	-354.6
Dipole, Da:	11.61
IP(EA), eV:	-9.34(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-4-(2,2-dimethylpropoxy)but-2-enoxy]ethanamine

Drug info:

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C

DOS

IR

Vibrations