Geometry & MOs

Info

ID:	149436
PubChem CID:	53789109
Reduced:	SN6O6C59H66 (1)
Stoich.:	AB6C6D59E66 (1)
Weight, g/mol:	373.79757
ΔH_f, kcal/mol:	-106.34
Dipole, Da:	8.69
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2-tribromo-2-phenoxyethanol

Drug info:

Smile

CC(C)(C)OC(=O)N([C@@H](CCCCN)C(=O)NCC(=O)N)C(=O)[C@@H]1CCCN1C(=O)[C@H](CS)N(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations