Geometry & MOs

Info

ID:	185372
PubChem CID:	77290809
Reduced:	BrClSN5C15H17 (1)
Stoich.:	ABCD5E15F17 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	32.47
Dipole, Da:	2.63
IP(EA), eV:	-8.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CNC1CCN(C1)C2=NC(=NC3=C2SC4=C3C=C(C=C4)Br)N.Cl

DOS

IR

Vibrations