Geometry & MOs

Info

ID:	244531
PubChem CID:	99361082
Reduced:	ClO3N5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	447.15947
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	6.68
IP(EA), eV:	-8.55(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]-[2-(dimethylamino)ethyl]amino]acetate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)N[C@H](CN2CCN(CC2)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations