Geometry & MOs

Info

ID:	27843
PubChem CID:	823844
Reduced:	NO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	4.05
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[C@]3(O2)NC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations