Geometry & MOs

Info

ID:	226676
PubChem CID:	87551014
Reduced:	S4O5N6C60H82 (1)
Stoich.:	A4B5C6D60E82 (1)
Weight, g/mol:	341.177964
ΔH_f, kcal/mol:	-145.1
Dipole, Da:	8.57
IP(EA), eV:	-8.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(9H-fluoren-1-yl)phenyl]methyl]butanamide

Drug info:

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C.CCOC1=CC=C(C=C1)C2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations