Geometry & MOs

Info

ID:	436717
PubChem CID:	135208061
Reduced:	O10N12C35H48 (1)
Stoich.:	A10B12C35D48 (1)
Weight, g/mol:	267.0484
ΔH_f, kcal/mol:	-412.22
Dipole, Da:	4.71
IP(EA), eV:	-9.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-1-(2-iodopropan-2-yl)aziridine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N[C@H]1CCNC(=O)CCC(=O)NCC[C@H](NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)C(=O)NCC(=O)N

DOS

IR

Vibrations