Geometry & MOs

Info

ID:	57547
PubChem CID:	22405501
Reduced:	F3N3O5C28H28 (1)
Stoich.:	A3B3C5D28E28 (1)
Weight, g/mol:	370.142976
ΔH_f, kcal/mol:	-315.26
Dipole, Da:	4.1
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-trityltetrazol-5-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=O)N1CC(=O)NC(C(C)C)C(=O)C(F)(F)F)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations